2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide

C17H15F2N3O — CID 40589359

IUPAC2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(F)cc2F)nc2ccccc21
InChIInChI=1S/C17H15F2N3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-8-7-11(18)10-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyKFOPAGZQMZQJJO-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.98
Rot. Bonds4

About 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide

2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 40589359) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID40589359
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(F)cc2F)nc2ccccc21
InChIInChI=1S/C17H15F2N3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-8-7-11(18)10-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyKFOPAGZQMZQJJO-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
CID 75401929
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
CID 17403937
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide (CID 40589359) is 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2ccc(F)cc2F)nc2ccccc21.
What is the InChIKey of 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is KFOPAGZQMZQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-8-7-11(18)10-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23).
What are the key properties of 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 315.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 40589359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).