7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide

C17H15ClFN3O2 — CID 58763024

IUPAC7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c2c1O
InChIInChI=1S/C17H15ClFN3O2/c1-22(2)17(24)11-8-12(18)14-15(16(11)23)21-13(20-14)7-9-3-5-10(19)6-4-9/h3-6,8,23H,7H2,1-2H3,(H,20,21)
InChIKeyPWLVWJXRZSVGKM-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.35
Rot. Bonds3

About 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide

7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 58763024) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
PubChem CID58763024
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c2c1O
InChIInChI=1S/C17H15ClFN3O2/c1-22(2)17(24)11-8-12(18)14-15(16(11)23)21-13(20-14)7-9-3-5-10(19)6-4-9/h3-6,8,23H,7H2,1-2H3,(H,20,21)
InChIKeyPWLVWJXRZSVGKM-UHFFFAOYSA-N
XLogP3.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (CID 58763024) is 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is CN(C)C(=O)c1cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c2c1O.
What is the InChIKey of 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is PWLVWJXRZSVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22(2)17(24)11-8-12(18)14-15(16(11)23)21-13(20-14)7-9-3-5-10(19)6-4-9/h3-6,8,23H,7H2,1-2H3,(H,20,21).
What are the key properties of 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58763024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).