2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

C16H18N4 — CID 83961969

IUPAC2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCn1c(CCNCc2ccncc2)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)8-11-18-12-13-6-9-17-10-7-13/h2-7,9-10,18H,8,11-12H2,1H3
InChIKeyTZOGMZSOSYCLMO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.30
Rot. Bonds5

About 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 83961969) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID83961969
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCn1c(CCNCc2ccncc2)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)8-11-18-12-13-6-9-17-10-7-13/h2-7,9-10,18H,8,11-12H2,1H3
InChIKeyTZOGMZSOSYCLMO-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55228241
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 46971377
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 83961969) is 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is Cn1c(CCNCc2ccncc2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is TZOGMZSOSYCLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)8-11-18-12-13-6-9-17-10-7-13/h2-7,9-10,18H,8,11-12H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.30, 5 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)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 83961969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).