2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

C20H21FN4O — CID 118725742

IUPAC2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccccc1F
InChIInChI=1S/C20H21FN4O/c21-16-8-2-1-7-15(16)19(26)23-20-22-17-9-3-4-10-18(17)25(20)14-13-24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2,(H,22,23,26)
InChIKeyONKPVKZKHPVZII-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.52
Rot. Bonds5

About 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 118725742) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID118725742
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccccc1F
InChIInChI=1S/C20H21FN4O/c21-16-8-2-1-7-15(16)19(26)23-20-22-17-9-3-4-10-18(17)25(20)14-13-24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2,(H,22,23,26)
InChIKeyONKPVKZKHPVZII-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
CID 35524627
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
3-ethoxy-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 35592391
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
CID 19577208
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (CID 118725742) is 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is ONKPVKZKHPVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-16-8-2-1-7-15(16)19(26)23-20-22-17-9-3-4-10-18(17)25(20)14-13-24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2,(H,22,23,26).
What are the key properties of 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 118725742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).