5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide

C17H15BrFN3O — CID 31510194

IUPAC5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cc(Br)ccc2F)nc2ccccc21
InChIInChI=1S/C17H15BrFN3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-10-11(18)7-8-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyBIFFKOQRIFMQIZ-UHFFFAOYSA-N
MW376.23 g/mol
LogP4.60
Rot. Bonds4

About 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide

5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 31510194) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID31510194
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC Name5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cc(Br)ccc2F)nc2ccccc21
InChIInChI=1S/C17H15BrFN3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-10-11(18)7-8-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyBIFFKOQRIFMQIZ-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
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
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide
CID 24601096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide (CID 31510194) is 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2cc(Br)ccc2F)nc2ccccc21.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is BIFFKOQRIFMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c1-2-9-22-15-6-4-3-5-14(15)20-17(22)21-16(23)12-10-11(18)7-8-13(12)19/h3-8,10H,2,9H2,1H3,(H,20,21,23).
What are the key properties of 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide?
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 376.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 31510194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).