N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine

C15H14FN3 — CID 110376658

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C15H14FN3/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyHDRDIARWLPGGPN-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine

N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110376658) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110376658
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C15H14FN3/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyHDRDIARWLPGGPN-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazol-2-amine
CID 82564341
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
CID 82562546
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
CID 82563411

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine (CID 110376658) is N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine is Cc1ccc2nc(NCc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is HDRDIARWLPGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 255.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110376658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).