N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

C20H22FN3O — CID 976977

IUPACN-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-14(2)20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)13-15-7-9-16(21)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyNFCXLRWYJRAGKI-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 976977) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID976977
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-14(2)20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)13-15-7-9-16(21)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyNFCXLRWYJRAGKI-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
CID 16988663
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
4-fluoro-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991738
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (CID 976977) is N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is NFCXLRWYJRAGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14(2)20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)13-15-7-9-16(21)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 339.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 976977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).