ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C86H88N18O9 — CID 157053774

IUPACethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C4CCN(C)CC4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C30H30N6O3.C30H29N5O4.C26H29N7O2/c1-5-31-30(38)35-29-33-26-16-22(15-24(28(26)34-29)25-11-6-7-12-32-25)21-13-18(2)36(27(37)17-21)19(3)20-9-8-10-23(14-20)39-4;1-5-39-30(37)34-29-32-26-16-22(15-24(28(26)33-29)25-11-6-7-12-31-25)21-13-18(2)35(27(36)17-21)19(3)20-9-8-10-23(14-20)38-4;1-3-27-26(35)31-25-29-22-15-18(14-20(24(22)30-25)21-6-4-5-10-28-21)17-7-13-33(23(34)16-17)19-8-11-32(2)12-9-19/h6-17,19H,5H2,1-4H3,(H3,31,33,34,35,38);6-17,19H,5H2,1-4H3,(H2,32,33,34,37);4-7,10,13-16,19H,3,8-9,11-12H2,1-2H3,(H3,27,29,30,31,35)/t2*19-;/m00./s1
InChIKeyAAMWNOPDDURJNO-UFEREZMFSA-N
MW1517.77 g/mol
LogP15.33
Rot. Bonds19

About ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 157053774) has the molecular formula C86H88N18O9 and a molecular weight of 1517.77 g/mol. Its IUPAC name is ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Nameethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID157053774
Molecular FormulaC86H88N18O9
Molecular Weight1517.77 g/mol
Exact Mass1516.70
IUPAC Nameethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C4CCN(C)CC4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C30H30N6O3.C30H29N5O4.C26H29N7O2/c1-5-31-30(38)35-29-33-26-16-22(15-24(28(26)34-29)25-11-6-7-12-32-25)21-13-18(2)36(27(37)17-21)19(3)20-9-8-10-23(14-20)39-4;1-5-39-30(37)34-29-32-26-16-22(15-24(28(26)33-29)25-11-6-7-12-31-25)21-13-18(2)35(27(36)17-21)19(3)20-9-8-10-23(14-20)38-4;1-3-27-26(35)31-25-29-22-15-18(14-20(24(22)30-25)21-6-4-5-10-28-21)17-7-13-33(23(34)16-17)19-8-11-32(2)12-9-19/h6-17,19H,5H2,1-4H3,(H3,31,33,34,35,38);6-17,19H,5H2,1-4H3,(H2,32,33,34,37);4-7,10,13-16,19H,3,8-9,11-12H2,1-2H3,(H3,27,29,30,31,35)/t2*19-;/m00./s1
InChIKeyAAMWNOPDDURJNO-UFEREZMFSA-N
XLogP15.33
TPSA333.00 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.77
LogP ≤ 515.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-amino-2-oxoethyl)-[2-[[2-[cyclohexyl-[2-[[2-[4-(methylamino)butyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-(pyridin-3-ylmethyl)amino]acetyl]amino]acetyl]-(2-hydroxyethyl)amino]acetyl]amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162674109
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11649967
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-[2-(4-propanoylpiperazin-1-yl)ethoxy]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 54673752
ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 11249102
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 44131842
benzyl 2-[6-[2-[2-[1-phenylmethoxycarbonyl-4-(pyridine-4-carbonyl)piperazin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]-4-(pyridine-4-carbonyl)piperazine-1-carboxylate
CID 44814556
1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 54673236
1-ethyl-3-[6-[1-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 54673238
1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 57566561
ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 57566594
1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 57566656
ethyl N-[6-[1-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 57566662

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 157053774) is ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C4CCN(C)CC4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n([C@@H](C)c4cccc(OC)c4)c(=O)c3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is AAMWNOPDDURJNO-UFEREZMFSA-N. The full InChI is InChI=1S/C30H30N6O3.C30H29N5O4.C26H29N7O2/c1-5-31-30(38)35-29-33-26-16-22(15-24(28(26)34-29)25-11-6-7-12-32-25)21-13-18(2)36(27(37)17-21)19(3)20-9-8-10-23(14-20)39-4;1-5-39-30(37)34-29-32-26-16-22(15-24(28(26)33-29)25-11-6-7-12-31-25)21-13-18(2)35(27(36)17-21)19(3)20-9-8-10-23(14-20)38-4;1-3-27-26(35)31-25-29-22-15-18(14-20(24(22)30-25)21-6-4-5-10-28-21)17-7-13-33(23(34)16-17)19-8-11-32(2)12-9-19/h6-17,19H,5H2,1-4H3,(H3,31,33,34,35,38);6-17,19H,5H2,1-4H3,(H2,32,33,34,37);4-7,10,13-16,19H,3,8-9,11-12H2,1-2H3,(H3,27,29,30,31,35)/t2*19-;/m00./s1.
What are the key properties of ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1517.77 g/mol, XLogP of 15.33, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157053774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).