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

C18H15ClFN3O3 — CID 58763194

IUPAC7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)c2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12
InChIInChI=1S/C18H15ClFN3O3/c1-9-22-15-13(19)7-12(17(26-2)16(15)23-9)18(25)21-8-14(24)10-3-5-11(20)6-4-10/h3-7H,8H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyRWXMUQPSDZCNNC-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.29
Rot. Bonds5

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

7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 58763194) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID58763194
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)c2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12
InChIInChI=1S/C18H15ClFN3O3/c1-9-22-15-13(19)7-12(17(26-2)16(15)23-9)18(25)21-8-14(24)10-3-5-11(20)6-4-10/h3-7H,8H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyRWXMUQPSDZCNNC-UHFFFAOYSA-N
XLogP3.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide (CID 58763194) is 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide is COc1c(C(=O)NCC(=O)c2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12.
What is the InChIKey of 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is RWXMUQPSDZCNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-9-22-15-13(19)7-12(17(26-2)16(15)23-9)18(25)21-8-14(24)10-3-5-11(20)6-4-10/h3-7H,8H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide?
7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58763194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).