4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide

C27H34N8O2 — CID 44561391

IUPAC4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1c(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)nc2cc(O)ccc21
InChIInChI=1S/C27H34N8O2/c1-27(2,3)19-9-11-20(12-10-19)35(26-28-22-15-21(36)13-14-23(22)34(26)4)16-17-5-7-18(8-6-17)24(37)29-25-30-32-33-31-25/h5-8,13-15,19-20,36H,9-12,16H2,1-4H3,(H2,29,30,31,32,33,37)
InChIKeyWSASXNBCJQZQMK-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.66
Rot. Bonds6

About 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 44561391) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID44561391
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC Name4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1c(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)nc2cc(O)ccc21
InChIInChI=1S/C27H34N8O2/c1-27(2,3)19-9-11-20(12-10-19)35(26-28-22-15-21(36)13-14-23(22)34(26)4)16-17-5-7-18(8-6-17)24(37)29-25-30-32-33-31-25/h5-8,13-15,19-20,36H,9-12,16H2,1-4H3,(H2,29,30,31,32,33,37)
InChIKeyWSASXNBCJQZQMK-UHFFFAOYSA-N
XLogP4.66
TPSA124.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 44561391) is 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide is Cn1c(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C2CCC(C(C)(C)C)CC2)nc2cc(O)ccc21.
What is the InChIKey of 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is WSASXNBCJQZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-27(2,3)19-9-11-20(12-10-19)35(26-28-22-15-21(36)13-14-23(22)34(26)4)16-17-5-7-18(8-6-17)24(37)29-25-30-32-33-31-25/h5-8,13-15,19-20,36H,9-12,16H2,1-4H3,(H2,29,30,31,32,33,37).
What are the key properties of 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 502.62 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylcyclohexyl)-(5-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 44561391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).