N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine

C15H13F2N3 — CID 78911282

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
SMILESFc1cccc(F)c1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13F2N3/c16-11-4-3-5-12(17)10(11)8-18-9-15-19-13-6-1-2-7-14(13)20-15/h1-7,18H,8-9H2,(H,19,20)
InChIKeyFNALJLOVIHDPPH-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.13
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine (PubChem CID 78911282) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
PubChem CID78911282
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
SMILESFc1cccc(F)c1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13F2N3/c16-11-4-3-5-12(17)10(11)8-18-9-15-19-13-6-1-2-7-14(13)20-15/h1-7,18H,8-9H2,(H,19,20)
InChIKeyFNALJLOVIHDPPH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66538754
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 78911241
[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]ethyl]ethane-1,2-diamine
CID 59751008

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine (CID 78911282) is N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine is Fc1cccc(F)c1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine?
The InChIKey is FNALJLOVIHDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-11-4-3-5-12(17)10(11)8-18-9-15-19-13-6-1-2-7-14(13)20-15/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine has a molecular weight of 273.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 78911282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).