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

C34H32FN7O — CID 70688504

IUPACN-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCc1nc2c(C)cc(C(=O)NCCc3ccccc3F)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H32FN7O/c1-3-8-31-37-32-22(2)19-26(34(43)36-18-17-25-9-4-7-12-29(25)35)20-30(32)42(31)21-23-13-15-24(16-14-23)27-10-5-6-11-28(27)33-38-40-41-39-33/h4-7,9-16,19-20H,3,8,17-18,21H2,1-2H3,(H,36,43)(H,38,39,40,41)
InChIKeyVXNIPEAFWARPJV-UHFFFAOYSA-N
MW573.68 g/mol
LogP6.30
Rot. Bonds10

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

N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 70688504) has the molecular formula C34H32FN7O and a molecular weight of 573.68 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID70688504
Molecular FormulaC34H32FN7O
Molecular Weight573.68 g/mol
Exact Mass573.27
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCc1nc2c(C)cc(C(=O)NCCc3ccccc3F)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H32FN7O/c1-3-8-31-37-32-22(2)19-26(34(43)36-18-17-25-9-4-7-12-29(25)35)20-30(32)42(31)21-23-13-15-24(16-14-23)27-10-5-6-11-28(27)33-38-40-41-39-33/h4-7,9-16,19-20H,3,8,17-18,21H2,1-2H3,(H,36,43)(H,38,39,40,41)
InChIKeyVXNIPEAFWARPJV-UHFFFAOYSA-N
XLogP6.30
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (CID 70688504) is N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3F)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is VXNIPEAFWARPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O/c1-3-8-31-37-32-22(2)19-26(34(43)36-18-17-25-9-4-7-12-29(25)35)20-30(32)42(31)21-23-13-15-24(16-14-23)27-10-5-6-11-28(27)33-38-40-41-39-33/h4-7,9-16,19-20H,3,8,17-18,21H2,1-2H3,(H,36,43)(H,38,39,40,41).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 573.68 g/mol, XLogP of 6.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 70688504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).