3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide

C17H15F2N3O — CID 110711954

IUPAC3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C17H15F2N3O/c1-22-15-5-3-2-4-14(15)21-16(22)8-9-20-17(23)11-6-7-12(18)13(19)10-11/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyAXNSTSYBJCDALQ-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.82
Rot. Bonds4

About 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide

3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 110711954) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID110711954
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C17H15F2N3O/c1-22-15-5-3-2-4-14(15)21-16(22)8-9-20-17(23)11-6-7-12(18)13(19)10-11/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyAXNSTSYBJCDALQ-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide
CID 119099381
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide (CID 110711954) is 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide is Cn1c(CCNC(=O)c2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is AXNSTSYBJCDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-22-15-5-3-2-4-14(15)21-16(22)8-9-20-17(23)11-6-7-12(18)13(19)10-11/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 315.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110711954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).