2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

C16H18N4O — CID 82337004

IUPAC2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc2nc(CCNCc3cccnc3)[nH]c2c1
InChIInChI=1S/C16H18N4O/c1-21-13-4-5-14-15(9-13)20-16(19-14)6-8-18-11-12-3-2-7-17-10-12/h2-5,7,9-10,18H,6,8,11H2,1H3,(H,19,20)
InChIKeyWARUTKYHHNNDRU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.30
Rot. Bonds6

About 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 82337004) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID82337004
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc2nc(CCNCc3cccnc3)[nH]c2c1
InChIInChI=1S/C16H18N4O/c1-21-13-4-5-14-15(9-13)20-16(19-14)6-8-18-11-12-3-2-7-17-10-12/h2-5,7,9-10,18H,6,8,11H2,1H3,(H,19,20)
InChIKeyWARUTKYHHNNDRU-UHFFFAOYSA-N
XLogP2.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 82337013
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 82337004) is 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is COc1ccc2nc(CCNCc3cccnc3)[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is WARUTKYHHNNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-13-4-5-14-15(9-13)20-16(19-14)6-8-18-11-12-3-2-7-17-10-12/h2-5,7,9-10,18H,6,8,11H2,1H3,(H,19,20).
What are the key properties of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 82337004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).