N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C23H26FN3O2 — CID 24524450

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc21
InChIInChI=1S/C23H26FN3O2/c1-2-14-25-20-9-5-6-10-21(20)26(23(25)29)15-13-22(28)27(18-11-12-18)16-17-7-3-4-8-19(17)24/h3-10,18H,2,11-16H2,1H3
InChIKeyWRIPVXVBXOUSPF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.93
Rot. Bonds8

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 24524450) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID24524450
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc21
InChIInChI=1S/C23H26FN3O2/c1-2-14-25-20-9-5-6-10-21(20)26(23(25)29)15-13-22(28)27(18-11-12-18)16-17-7-3-4-8-19(17)24/h3-10,18H,2,11-16H2,1H3
InChIKeyWRIPVXVBXOUSPF-UHFFFAOYSA-N
XLogP3.93
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 32590164
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55507951
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 24549331
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 134013720

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 24524450) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is WRIPVXVBXOUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-14-25-20-9-5-6-10-21(20)26(23(25)29)15-13-22(28)27(18-11-12-18)16-17-7-3-4-8-19(17)24/h3-10,18H,2,11-16H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 24524450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).