6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide

C22H19FN4O2 — CID 134811374

IUPAC6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)c2c(c1)ncn2C
InChIInChI=1S/C22H19FN4O2/c1-27-13-26-19-9-15(17-6-5-16(23)10-20(17)29-2)8-18(21(19)27)22(28)25-12-14-4-3-7-24-11-14/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyKTYUZCGTEPZWEV-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.71
Rot. Bonds5

About 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide

6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide (PubChem CID 134811374) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide
PubChem CID134811374
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)c2c(c1)ncn2C
InChIInChI=1S/C22H19FN4O2/c1-27-13-26-19-9-15(17-6-5-16(23)10-20(17)29-2)8-18(21(19)27)22(28)25-12-14-4-3-7-24-11-14/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyKTYUZCGTEPZWEV-UHFFFAOYSA-N
XLogP3.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide (CID 134811374) is 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide is COc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)c2c(c1)ncn2C.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide?
The InChIKey is KTYUZCGTEPZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27-13-26-19-9-15(17-6-5-16(23)10-20(17)29-2)8-18(21(19)27)22(28)25-12-14-4-3-7-24-11-14/h3-11,13H,12H2,1-2H3,(H,25,28).
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide?
6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134811374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).