7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

C34H33N7O — CID 70686410

IUPAC7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H33N7O/c1-3-9-31-36-32-23(2)20-27(34(42)35-19-18-24-10-5-4-6-11-24)21-30(32)41(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)33-37-39-40-38-33/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,42)(H,37,38,39,40)
InChIKeyLRUAJEDWTRTTKM-UHFFFAOYSA-N
MW555.69 g/mol
LogP6.17
Rot. Bonds10

About 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 70686410) has the molecular formula C34H33N7O and a molecular weight of 555.69 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID70686410
Molecular FormulaC34H33N7O
Molecular Weight555.69 g/mol
Exact Mass555.27
IUPAC Name7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H33N7O/c1-3-9-31-36-32-23(2)20-27(34(42)35-19-18-24-10-5-4-6-11-24)21-30(32)41(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)33-37-39-40-38-33/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,42)(H,37,38,39,40)
InChIKeyLRUAJEDWTRTTKM-UHFFFAOYSA-N
XLogP6.17
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (CID 70686410) is 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is LRUAJEDWTRTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O/c1-3-9-31-36-32-23(2)20-27(34(42)35-19-18-24-10-5-4-6-11-24)21-30(32)41(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)33-37-39-40-38-33/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,42)(H,37,38,39,40).
What are the key properties of 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 555.69 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenylethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 70686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).