N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide

C27H27N7O3 — CID 118515937

IUPACN-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1
InChIInChI=1S/C27H27N7O3/c1-3-34-31-26(30-32-34)29-24(35)19-14-15-22-23(18-19)33(16-17-37-2)25(28-22)27(36,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,36H,3,16-17H2,1-2H3,(H,29,31,35)
InChIKeyAZZOZWBEMVNBAM-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.23
Rot. Bonds9

About N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide

N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (PubChem CID 118515937) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
PubChem CID118515937
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1
InChIInChI=1S/C27H27N7O3/c1-3-34-31-26(30-32-34)29-24(35)19-14-15-22-23(18-19)33(16-17-37-2)25(28-22)27(36,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,36H,3,16-17H2,1-2H3,(H,29,31,35)
InChIKeyAZZOZWBEMVNBAM-UHFFFAOYSA-N
XLogP3.23
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide 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 N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (CID 118515937) is N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is CCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is AZZOZWBEMVNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-3-34-31-26(30-32-34)29-24(35)19-14-15-22-23(18-19)33(16-17-37-2)25(28-22)27(36,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,36H,3,16-17H2,1-2H3,(H,29,31,35).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 118515937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).