(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide

C46H59ClN12O2 — CID 91141471

IUPAC(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2cc(C(C)(C)C)ccc2n1C.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C23H29ClN6O.C23H30N6O/c1-15-14-29(20-17(24)7-6-10-25-20)11-12-30(15)22(31)27-21-26-18-13-16(23(2,3)4)8-9-19(18)28(21)5;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21/h6-10,13,15H,11-12,14H2,1-5H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;16-/m11/s1
InChIKeyHWJWSBGYEJJWRS-MHAOTKKNSA-N
MW847.51 g/mol
LogP8.97
Rot. Bonds4

About (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide

(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide (PubChem CID 91141471) has the molecular formula C46H59ClN12O2 and a molecular weight of 847.51 g/mol. Its IUPAC name is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
PubChem CID91141471
Molecular FormulaC46H59ClN12O2
Molecular Weight847.51 g/mol
Exact Mass846.46
IUPAC Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2cc(C(C)(C)C)ccc2n1C.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C23H29ClN6O.C23H30N6O/c1-15-14-29(20-17(24)7-6-10-25-20)11-12-30(15)22(31)27-21-26-18-13-16(23(2,3)4)8-9-19(18)28(21)5;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21/h6-10,13,15H,11-12,14H2,1-5H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;16-/m11/s1
InChIKeyHWJWSBGYEJJWRS-MHAOTKKNSA-N
XLogP8.97
TPSA143.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.51
LogP ≤ 58.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide 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

6-tert-Butyl-2-[4-(3-chloro-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole
CID 11682182
N-[3-[6-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76317861
N-[3-[6-(6-chloro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76317863
N-[3-[6-(5-chloro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76328738
N-[3-[6-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76332423
N-[3-[6-(2-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76336047
1-[4-[[2-[[6-[5-chloro-6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 137479135
(R)-6-tert-butyl-2-(4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 11176566
2-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-5,6-dimethyl-1H-benzoimidazole
CID 44391189
6-tert-Butyl-2-[(S)-4-(3-chloro-pyridin-2-yl)-2-methyl-piperazin-1-yl]-1H-benzoimidazole
CID 44391210
2-[(R)-4-(3-Chloro-pyridin-2-yl)-2-methyl-piperazin-1-yl]-5,6-dimethyl-1H-benzoimidazole
CID 44391216
5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 57397772

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide (CID 91141471) is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide is C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2cc(C(C)(C)C)ccc2n1C.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1.
What is the InChIKey of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is HWJWSBGYEJJWRS-MHAOTKKNSA-N. The full InChI is InChI=1S/C23H29ClN6O.C23H30N6O/c1-15-14-29(20-17(24)7-6-10-25-20)11-12-30(15)22(31)27-21-26-18-13-16(23(2,3)4)8-9-19(18)28(21)5;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21/h6-10,13,15H,11-12,14H2,1-5H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;16-/m11/s1.
What are the key properties of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 847.51 g/mol, XLogP of 8.97, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 91141471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).