2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline

C117H100F7N15O4 — CID 157342048

IUPAC2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline
SMILESCOc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.FC(F)(F)c1cccc(CCc2ccc(CNc3cccc(C(F)(F)F)c3)cc2)c1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C37H27N3.C23H19F6N.C23H21NO4.C17H16FN5.C17H17N5/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;24-22(25,26)19-4-1-3-17(13-19)10-7-16-8-11-18(12-9-16)15-30-21-6-2-5-20(14-21)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17/h1-24H,25H2,(H,39,40);1-6,8-9,11-14,30H,7,10,15H2;3-13,15H,14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22)
InChIKeyBGMXXYZVWJCBCM-UHFFFAOYSA-N
MW1913.17 g/mol
LogP27.01
Rot. Bonds31

About 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline

2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline (PubChem CID 157342048) has the molecular formula C117H100F7N15O4 and a molecular weight of 1913.17 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline
PubChem CID157342048
Molecular FormulaC117H100F7N15O4
Molecular Weight1913.17 g/mol
Exact Mass1911.80
IUPAC Name2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline
SMILESCOc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.FC(F)(F)c1cccc(CCc2ccc(CNc3cccc(C(F)(F)F)c3)cc2)c1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C37H27N3.C23H19F6N.C23H21NO4.C17H16FN5.C17H17N5/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;24-22(25,26)19-4-1-3-17(13-19)10-7-16-8-11-18(12-9-16)15-30-21-6-2-5-20(14-21)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17/h1-24H,25H2,(H,39,40);1-6,8-9,11-14,30H,7,10,15H2;3-13,15H,14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22)
InChIKeyBGMXXYZVWJCBCM-UHFFFAOYSA-N
XLogP27.01
TPSA243.16 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.17
LogP ≤ 527.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452611
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452903
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452959
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59453008
N-(2,6-difluorophenyl)-3-[7-fluoro-3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59860249
N-(2,6-Difluorophenyl)-3-[8-fluoro-3-[2-[[4-[4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl]-2-methoxyphenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59860250
US10844062, Example 38
CID 130321894
4-methyl-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 145961887
US10844062, Example 63
CID 130321711
US11352354, Example V-c-8
CID 146621483
US11352354, Example V-c-61
CID 146622078
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methoxy-5-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)imidazol-2-yl]amino]benzamide
CID 11541824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline?
The IUPAC name of 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline (CID 157342048) is 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline.
What is the SMILES notation for 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline?
The canonical SMILES for 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline is COc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.FC(F)(F)c1cccc(CCc2ccc(CNc3cccc(C(F)(F)F)c3)cc2)c1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.
What is the InChIKey of 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline?
The InChIKey is BGMXXYZVWJCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3.C23H19F6N.C23H21NO4.C17H16FN5.C17H17N5/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;24-22(25,26)19-4-1-3-17(13-19)10-7-16-8-11-18(12-9-16)15-30-21-6-2-5-20(14-21)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17/h1-24H,25H2,(H,39,40);1-6,8-9,11-14,30H,7,10,15H2;3-13,15H,14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22).
What are the key properties of 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline?
2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline has a molecular weight of 1913.17 g/mol, XLogP of 27.01, 31 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline is sourced from PubChem (CID 157342048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).