N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine

C21H17F2N3 — CID 11595468

IUPACN,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17F2N3/c22-17-9-5-15(6-10-17)13-24-21-25-19-3-1-2-4-20(19)26(21)14-16-7-11-18(23)12-8-16/h1-12H,13-14H2,(H,24,25)
InChIKeyJNCQVEDGQFGALE-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.97
Rot. Bonds5

About N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine

N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine (PubChem CID 11595468) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
PubChem CID11595468
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC NameN,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17F2N3/c22-17-9-5-15(6-10-17)13-24-21-25-19-3-1-2-4-20(19)26(21)14-16-7-11-18(23)12-8-16/h1-12H,13-14H2,(H,24,25)
InChIKeyJNCQVEDGQFGALE-UHFFFAOYSA-N
XLogP4.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine
CID 11525259
(2S)-2-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-3-phenylpropan-1-ol
CID 101037900
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581

Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine (CID 11595468) is N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine is Fc1ccc(CNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1.
What is the InChIKey of N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is JNCQVEDGQFGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c22-17-9-5-15(6-10-17)13-24-21-25-19-3-1-2-4-20(19)26(21)14-16-7-11-18(23)12-8-16/h1-12H,13-14H2,(H,24,25).
What are the key properties of N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine?
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 349.38 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 11595468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).