1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

C16H18N4O — CID 105065815

IUPAC1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCOc1cnccc1C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H18N4O/c1-20-14-6-4-3-5-13(14)19-16(20)9-12(17)11-7-8-18-10-15(11)21-2/h3-8,10,12H,9,17H2,1-2H3
InChIKeyXFPLANQFJSDJPA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 105065815) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID105065815
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCOc1cnccc1C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H18N4O/c1-20-14-6-4-3-5-13(14)19-16(20)9-12(17)11-7-8-18-10-15(11)21-2/h3-8,10,12H,9,17H2,1-2H3
InChIKeyXFPLANQFJSDJPA-UHFFFAOYSA-N
XLogP2.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105164893
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878188
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-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
1-(5-bromo-2-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007538
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 105065815) is 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is COc1cnccc1C(N)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is XFPLANQFJSDJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-14-6-4-3-5-13(14)19-16(20)9-12(17)11-7-8-18-10-15(11)21-2/h3-8,10,12H,9,17H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 105065815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).