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

C18H17ClFN3O2 — CID 71056494

IUPAC7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12
InChIInChI=1S/C18H17ClFN3O2/c1-23(2)18(24)12-9-13(19)15-16(17(12)25-3)22-14(21-15)8-10-4-6-11(20)7-5-10/h4-7,9H,8H2,1-3H3,(H,21,22)
InChIKeyQRJREZVKHTUXOT-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.66
Rot. Bonds4

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

7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 71056494) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
PubChem CID71056494
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12
InChIInChI=1S/C18H17ClFN3O2/c1-23(2)18(24)12-9-13(19)15-16(17(12)25-3)22-14(21-15)8-10-4-6-11(20)7-5-10/h4-7,9H,8H2,1-3H3,(H,21,22)
InChIKeyQRJREZVKHTUXOT-UHFFFAOYSA-N
XLogP3.66
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (CID 71056494) is 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is COc1c(C(=O)N(C)C)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12.
What is the InChIKey of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QRJREZVKHTUXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-23(2)18(24)12-9-13(19)15-16(17(12)25-3)22-14(21-15)8-10-4-6-11(20)7-5-10/h4-7,9H,8H2,1-3H3,(H,21,22).
What are the key properties of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71056494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).