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

C70H88ClF3N18O3 — CID 162066310

IUPAC(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)C[C@H]1C)n2C.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2n1C.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C24H29F3N6O.C23H29ClN6O.C23H30N6O/c1-15-14-32(20-17(24(25,26)27)7-6-10-28-20)11-12-33(15)22(34)30-21-29-18-9-8-16(23(2,3)4)13-19(18)31(21)5;1-15(2)12-17-7-8-20-19(13-17)26-22(28(20)4)27-23(31)30-11-10-29(14-16(30)3)21-18(24)6-5-9-25-21;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,29,30,34);5-9,13,15-16H,10-12,14H2,1-4H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;2*16-/m111/s1
InChIKeyZAMRFOKDLSIGCJ-XFUJQKAHSA-N
MW1322.04 g/mol
LogP13.90
Rot. Bonds8

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

(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide (PubChem CID 162066310) has the molecular formula C70H88ClF3N18O3 and a molecular weight of 1322.04 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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide
PubChem CID162066310
Molecular FormulaC70H88ClF3N18O3
Molecular Weight1322.04 g/mol
Exact Mass1320.69
IUPAC Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)C[C@H]1C)n2C.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2n1C.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C24H29F3N6O.C23H29ClN6O.C23H30N6O/c1-15-14-32(20-17(24(25,26)27)7-6-10-28-20)11-12-33(15)22(34)30-21-29-18-9-8-16(23(2,3)4)13-19(18)31(21)5;1-15(2)12-17-7-8-20-19(13-17)26-22(28(20)4)27-23(31)30-11-10-29(14-16(30)3)21-18(24)6-5-9-25-21;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,29,30,34);5-9,13,15-16H,10-12,14H2,1-4H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;2*16-/m111/s1
InChIKeyZAMRFOKDLSIGCJ-XFUJQKAHSA-N
XLogP13.90
TPSA209.73 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.04
LogP ≤ 513.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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
N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(1-methyl-4-piperidyl)-1H-benzimidazol-2-amine
CID 118709847
US9650358, Example 27
CID 86299498
US10894784, Example 132.02
CID 129245292
US10894784, Example 132.01
CID 129245301
US10894784, Example 140.02
CID 129245566
US10894784, Example 130.02
CID 129245613
US10894784, Example 132.03
CID 129245914
US9650358, Example 82
CID 90413182
US9650358, Example 83
CID 90413742
US10894784, Example 130.01
CID 129245487
N-{5-Chloro-6-[(3R)-3-methyl-4-(5-trifluoromethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-pyridin-3-ylmethyl}-N-methyl-acetamide
CID 57835098

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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide (CID 162066310) is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide is CC(C)Cc1ccc2c(c1)nc(NC(=O)N1CCN(c3ncccc3Cl)C[C@H]1C)n2C.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2n1C.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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide?
The InChIKey is ZAMRFOKDLSIGCJ-XFUJQKAHSA-N. The full InChI is InChI=1S/C24H29F3N6O.C23H29ClN6O.C23H30N6O/c1-15-14-32(20-17(24(25,26)27)7-6-10-28-20)11-12-33(15)22(34)30-21-29-18-9-8-16(23(2,3)4)13-19(18)31(21)5;1-15(2)12-17-7-8-20-19(13-17)26-22(28(20)4)27-23(31)30-11-10-29(14-16(30)3)21-18(24)6-5-9-25-21;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,29,30,34);5-9,13,15-16H,10-12,14H2,1-4H3,(H,26,27,31);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30)/t15-;2*16-/m111/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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide?
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide has a molecular weight of 1322.04 g/mol, XLogP of 13.90, 8 rotatable bonds, 4 hydrogen bond donors, and 14 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-(6-tert-butyl-1-methylbenzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 162066310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).