[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine

C13H11ClN4 — CID 114927352

IUPAC[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine
SMILESNCc1cc(-n2cnc3ccccc32)ncc1Cl
InChIInChI=1S/C13H11ClN4/c14-10-7-16-13(5-9(10)6-15)18-8-17-11-3-1-2-4-12(11)18/h1-5,7-8H,6,15H2
InChIKeyUWGWOFGONBUGDI-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.53
Rot. Bonds2

About [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine

[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine (PubChem CID 114927352) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine
PubChem CID114927352
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine
SMILESNCc1cc(-n2cnc3ccccc32)ncc1Cl
InChIInChI=1S/C13H11ClN4/c14-10-7-16-13(5-9(10)6-15)18-8-17-11-3-1-2-4-12(11)18/h1-5,7-8H,6,15H2
InChIKeyUWGWOFGONBUGDI-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
CID 50988410
1-(2,6-dichloropyrimidin-4-yl)benzimidazole
CID 10539590
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-(2-ethylphenyl)benzimidazole
CID 22078308
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
CID 163906532
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
2-(benzimidazol-1-yl)pyridine-4-carbothioamide
CID 24697495

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine (CID 114927352) is [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine is NCc1cc(-n2cnc3ccccc32)ncc1Cl.
What is the InChIKey of [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine?
The InChIKey is UWGWOFGONBUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-7-16-13(5-9(10)6-15)18-8-17-11-3-1-2-4-12(11)18/h1-5,7-8H,6,15H2.
What are the key properties of [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine?
[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine has a molecular weight of 258.71 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 114927352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).