N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

C15H13F2N3 — CID 154703945

IUPACN-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)c1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13F2N3/c16-14(17)11-6-2-1-5-10(11)9-18-15-19-12-7-3-4-8-13(12)20-15/h1-8,14H,9H2,(H2,18,19,20)
InChIKeyQZIMSYGUIFUEBW-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.11
Rot. Bonds4

About N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 154703945) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID154703945
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)c1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13F2N3/c16-14(17)11-6-2-1-5-10(11)9-18-15-19-12-7-3-4-8-13(12)20-15/h1-8,14H,9H2,(H2,18,19,20)
InChIKeyQZIMSYGUIFUEBW-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409737
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1H-benzimidazol-2-amine
CID 133410891

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 154703945) is N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is FC(F)c1ccccc1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is QZIMSYGUIFUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-14(17)11-6-2-1-5-10(11)9-18-15-19-12-7-3-4-8-13(12)20-15/h1-8,14H,9H2,(H2,18,19,20).
What are the key properties of N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 273.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 154703945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).