ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea

C71H68N22O8 — CID 157493850

IUPACethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccc(C(=O)N4CCCC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cc(C)n([C@H](C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C27H25N7O3.C26H27N7O3.C18H16N8O2/c1-4-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)25-29-10-7-11-30-25)18-12-16(2)34(23(35)15-18)17(3)21-8-5-6-9-28-21;1-3-27-26(36)31-25-29-21-13-18(16-8-11-32(2)22(34)14-16)12-19(23(21)30-25)20-7-6-17(15-28-20)24(35)33-9-4-5-10-33;1-2-28-18(27)26-17-24-13-7-10(11-8-22-16(19)23-9-11)6-12(14(13)25-17)15-20-4-3-5-21-15/h5-15,17H,4H2,1-3H3,(H2,31,32,33,36);6-8,11-15H,3-5,9-10H2,1-2H3,(H3,27,29,30,31,36);3-9H,2H2,1H3,(H2,19,22,23)(H2,24,25,26,27)/t17-;;/m1../s1
InChIKeyBXOZUVUJGCJYHA-ZEECNFPPSA-N
MW1357.47 g/mol
LogP10.73
Rot. Bonds15

About ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea

ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea (PubChem CID 157493850) has the molecular formula C71H68N22O8 and a molecular weight of 1357.47 g/mol. Its IUPAC name is ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Nameethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea
PubChem CID157493850
Molecular FormulaC71H68N22O8
Molecular Weight1357.47 g/mol
Exact Mass1356.56
IUPAC Nameethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccc(C(=O)N4CCCC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cc(C)n([C@H](C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(N)nc3)cc2[nH]1
InChIInChI=1S/C27H25N7O3.C26H27N7O3.C18H16N8O2/c1-4-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)25-29-10-7-11-30-25)18-12-16(2)34(23(35)15-18)17(3)21-8-5-6-9-28-21;1-3-27-26(36)31-25-29-21-13-18(16-8-11-32(2)22(34)14-16)12-19(23(21)30-25)20-7-6-17(15-28-20)24(35)33-9-4-5-10-33;1-2-28-18(27)26-17-24-13-7-10(11-8-22-16(19)23-9-11)6-12(14(13)25-17)15-20-4-3-5-21-15/h5-15,17H,4H2,1-3H3,(H2,31,32,33,36);6-8,11-15H,3-5,9-10H2,1-2H3,(H3,27,29,30,31,36);3-9H,2H2,1H3,(H2,19,22,23)(H2,24,25,26,27)/t17-;;/m1../s1
InChIKeyBXOZUVUJGCJYHA-ZEECNFPPSA-N
XLogP10.73
TPSA397.28 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.47
LogP ≤ 510.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(1S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-10-methyl-9-oxo-acridin-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 46932232
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole-5-carboxamide
CID 137635968
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 137637970
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
CID 137639511
4-[2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177641827
4-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644983
4-[2-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645056
4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177649217
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177649440
methyl N-[(1R)-2-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(pyridine-3-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46244035
methyl N-[2-[2-[5-[3,5-difluoro-4-[4-[2-[1-[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 75184640
[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea?
The IUPAC name of ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea (CID 157493850) is ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccc(C(=O)N4CCCC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cc(C)n([C@H](C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc(N)nc3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea?
The InChIKey is BXOZUVUJGCJYHA-ZEECNFPPSA-N. The full InChI is InChI=1S/C27H25N7O3.C26H27N7O3.C18H16N8O2/c1-4-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)25-29-10-7-11-30-25)18-12-16(2)34(23(35)15-18)17(3)21-8-5-6-9-28-21;1-3-27-26(36)31-25-29-21-13-18(16-8-11-32(2)22(34)14-16)12-19(23(21)30-25)20-7-6-17(15-28-20)24(35)33-9-4-5-10-33;1-2-28-18(27)26-17-24-13-7-10(11-8-22-16(19)23-9-11)6-12(14(13)25-17)15-20-4-3-5-21-15/h5-15,17H,4H2,1-3H3,(H2,31,32,33,36);6-8,11-15H,3-5,9-10H2,1-2H3,(H3,27,29,30,31,36);3-9H,2H2,1H3,(H2,19,22,23)(H2,24,25,26,27)/t17-;;/m1../s1.
What are the key properties of ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea?
ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea has a molecular weight of 1357.47 g/mol, XLogP of 10.73, 15 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2-aminopyrimidin-5-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[2-methyl-6-oxo-1-[(1R)-1-pyridin-2-ylethyl]-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157493850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).