N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine

C15H13F2N3 — CID 82564325

IUPACN-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)c(F)c3)[nH]c2c1
InChIInChI=1S/C15H13F2N3/c1-9-2-5-13-14(6-9)20-15(19-13)18-8-10-3-4-11(16)12(17)7-10/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyKCIXBCITKJVKKW-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.76
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine

N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 82564325) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
PubChem CID82564325
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)c(F)c3)[nH]c2c1
InChIInChI=1S/C15H13F2N3/c1-9-2-5-13-14(6-9)20-15(19-13)18-8-10-3-4-11(16)12(17)7-10/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyKCIXBCITKJVKKW-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
N-[(3,4-difluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564527
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazol-2-amine
CID 82564341
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
CID 82562546
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
CID 82562545
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409852
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine (CID 82564325) is N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine is Cc1ccc2nc(NCc3ccc(F)c(F)c3)[nH]c2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is KCIXBCITKJVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-9-2-5-13-14(6-9)20-15(19-13)18-8-10-3-4-11(16)12(17)7-10/h2-7H,8H2,1H3,(H2,18,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine?
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).