2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol

C15H16N4O — CID 50970553

IUPAC2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
SMILESCc1cccc2c1nc(CCO)n2-c1cccc(N)n1
InChIInChI=1S/C15H16N4O/c1-10-4-2-5-11-15(10)18-14(8-9-20)19(11)13-7-3-6-12(16)17-13/h2-7,20H,8-9H2,1H3,(H2,16,17)
InChIKeyXNUMPIAKSOTHAP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.85
Rot. Bonds3

About 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol

2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol (PubChem CID 50970553) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
PubChem CID50970553
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
SMILESCc1cccc2c1nc(CCO)n2-c1cccc(N)n1
InChIInChI=1S/C15H16N4O/c1-10-4-2-5-11-15(10)18-14(8-9-20)19(11)13-7-3-6-12(16)17-13/h2-7,20H,8-9H2,1H3,(H2,16,17)
InChIKeyXNUMPIAKSOTHAP-UHFFFAOYSA-N
XLogP1.85
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol
CID 50976929
2-[1-(6-amino-3-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
CID 50969452
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
1,4-dimethyl-2-(3-methylbutyl)benzimidazole
CID 22734749
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate
CID 123773332
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide
CID 91103427
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
4-methyl-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58121833
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
CID 106240467
3-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]butanamide
CID 114041868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol (CID 50970553) is 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol is Cc1cccc2c1nc(CCO)n2-c1cccc(N)n1.
What is the InChIKey of 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol?
The InChIKey is XNUMPIAKSOTHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-4-2-5-11-15(10)18-14(8-9-20)19(11)13-7-3-6-12(16)17-13/h2-7,20H,8-9H2,1H3,(H2,16,17).
What are the key properties of 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol?
2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol is sourced from PubChem (CID 50970553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).