4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline

C20H16FN3 — CID 171679896

IUPAC4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
SMILESFc1cccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H16FN3/c21-16-5-3-4-14(12-16)13-22-17-10-8-15(9-11-17)20-23-18-6-1-2-7-19(18)24-20/h1-12,22H,13H2,(H,23,24)
InChIKeyUGJCKWSOXJETBI-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.98
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline

4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline (PubChem CID 171679896) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
PubChem CID171679896
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
SMILESFc1cccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H16FN3/c21-16-5-3-4-14(12-16)13-22-17-10-8-15(9-11-17)20-23-18-6-1-2-7-19(18)24-20/h1-12,22H,13H2,(H,23,24)
InChIKeyUGJCKWSOXJETBI-UHFFFAOYSA-N
XLogP4.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
4-N-[4-(1H-benzimidazol-2-yl)phenyl]-6-N-benzyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 155805890
2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine
CID 43968404
azane;2-phenyl-1H-benzimidazole
CID 172858780

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline (CID 171679896) is 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline is Fc1cccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline?
The InChIKey is UGJCKWSOXJETBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-16-5-3-4-14(12-16)13-22-17-10-8-15(9-11-17)20-23-18-6-1-2-7-19(18)24-20/h1-12,22H,13H2,(H,23,24).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline?
4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline has a molecular weight of 317.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline is sourced from PubChem (CID 171679896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).