[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine

C13H10F2N4 — CID 112556560

IUPAC[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccn1
InChIInChI=1S/C13H10F2N4/c14-9-1-2-10-12(11(9)15)19-13(18-10)7-3-4-17-8(5-7)6-16/h1-5H,6,16H2,(H,18,19)
InChIKeyPQCKJMFBDHZVBX-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.36
Rot. Bonds2

About [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine

[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine (PubChem CID 112556560) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
PubChem CID112556560
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccn1
InChIInChI=1S/C13H10F2N4/c14-9-1-2-10-12(11(9)15)19-13(18-10)7-3-4-17-8(5-7)6-16/h1-5H,6,16H2,(H,18,19)
InChIKeyPQCKJMFBDHZVBX-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975
6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 115911844
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine (CID 112556560) is [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccn1.
What is the InChIKey of [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine?
The InChIKey is PQCKJMFBDHZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-9-1-2-10-12(11(9)15)19-13(18-10)7-3-4-17-8(5-7)6-16/h1-5H,6,16H2,(H,18,19).
What are the key properties of [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine?
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine has a molecular weight of 260.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 112556560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).