6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide

C25H22F2N4O3 — CID 162651220

IUPAC6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide
SMILESCOCCn1cnc2cc(NC(=O)c3ccccc3)cc(C(=O)NCc3cc(F)cc(F)c3)c21
InChIInChI=1S/C25H22F2N4O3/c1-34-8-7-31-15-29-22-13-20(30-24(32)17-5-3-2-4-6-17)12-21(23(22)31)25(33)28-14-16-9-18(26)11-19(27)10-16/h2-6,9-13,15H,7-8,14H2,1H3,(H,28,33)(H,30,32)
InChIKeyFPLKSJDEOUBUEL-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.14
Rot. Bonds8

About 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide

6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide (PubChem CID 162651220) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide
PubChem CID162651220
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC Name6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide
SMILESCOCCn1cnc2cc(NC(=O)c3ccccc3)cc(C(=O)NCc3cc(F)cc(F)c3)c21
InChIInChI=1S/C25H22F2N4O3/c1-34-8-7-31-15-29-22-13-20(30-24(32)17-5-3-2-4-6-17)12-21(23(22)31)25(33)28-14-16-9-18(26)11-19(27)10-16/h2-6,9-13,15H,7-8,14H2,1H3,(H,28,33)(H,30,32)
InChIKeyFPLKSJDEOUBUEL-UHFFFAOYSA-N
XLogP4.14
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide (CID 162651220) is 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide is COCCn1cnc2cc(NC(=O)c3ccccc3)cc(C(=O)NCc3cc(F)cc(F)c3)c21.
What is the InChIKey of 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The InChIKey is FPLKSJDEOUBUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-34-8-7-31-15-29-22-13-20(30-24(32)17-5-3-2-4-6-17)12-21(23(22)31)25(33)28-14-16-9-18(26)11-19(27)10-16/h2-6,9-13,15H,7-8,14H2,1H3,(H,28,33)(H,30,32).
What are the key properties of 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-N-[(3,5-difluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 162651220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).