N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide

C19H18FN3O — CID 110712099

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C19H18FN3O/c20-14-7-5-13(6-8-14)11-19(24)21-12-18-22-16-3-1-2-4-17(16)23(18)15-9-10-15/h1-8,15H,9-12H2,(H,21,24)
InChIKeyFLHUEPKQHCHFTC-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.37
Rot. Bonds5

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110712099) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID110712099
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C19H18FN3O/c20-14-7-5-13(6-8-14)11-19(24)21-12-18-22-16-3-1-2-4-17(16)23(18)15-9-10-15/h1-8,15H,9-12H2,(H,21,24)
InChIKeyFLHUEPKQHCHFTC-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 136530963
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
3-(aminomethyl)-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167772045
N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25341478

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 110712099) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2n1C1CC1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FLHUEPKQHCHFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-14-7-5-13(6-8-14)11-19(24)21-12-18-22-16-3-1-2-4-17(16)23(18)15-9-10-15/h1-8,15H,9-12H2,(H,21,24).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110712099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).