2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine

C16H18N4 — CID 105164893

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C16H18N4/c1-11-7-12(10-18-9-11)13(17)8-16-19-14-5-3-4-6-15(14)20(16)2/h3-7,9-10,13H,8,17H2,1-2H3
InChIKeyKOYKYEBJEMTLIN-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine

2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 105164893) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID105164893
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C16H18N4/c1-11-7-12(10-18-9-11)13(17)8-16-19-14-5-3-4-6-15(14)20(16)2/h3-7,9-10,13H,8,17H2,1-2H3
InChIKeyKOYKYEBJEMTLIN-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007600
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115566654
[2-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200785
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105065815
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine (CID 105164893) is 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine is Cc1cncc(C(N)Cc2nc3ccccc3n2C)c1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is KOYKYEBJEMTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-7-12(10-18-9-11)13(17)8-16-19-14-5-3-4-6-15(14)20(16)2/h3-7,9-10,13H,8,17H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105164893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).