N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

C18H18FN3O — CID 134102969

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1C(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-12(18(23)20-11-14-7-9-15(19)10-8-14)22-13(2)21-16-5-3-4-6-17(16)22/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyPFFOHNFFFQSRQL-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 134102969) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID134102969
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1C(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c1-12(18(23)20-11-14-7-9-15(19)10-8-14)22-13(2)21-16-5-3-4-6-17(16)22/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyPFFOHNFFFQSRQL-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 51598009
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 93289048

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (CID 134102969) is N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is Cc1nc2ccccc2n1C(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is PFFOHNFFFQSRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12(18(23)20-11-14-7-9-15(19)10-8-14)22-13(2)21-16-5-3-4-6-17(16)22/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 311.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 134102969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).