3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C17H20N4 — CID 83962036

IUPAC3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCn1c(CCCNCc2ccccn2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-21-16-9-3-2-8-15(16)20-17(21)10-6-11-18-13-14-7-4-5-12-19-14/h2-5,7-9,12,18H,6,10-11,13H2,1H3
InChIKeyKAYLYPHBUPOCIR-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.69
Rot. Bonds6

About 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 83962036) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID83962036
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCn1c(CCCNCc2ccccn2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-21-16-9-3-2-8-15(16)20-17(21)10-6-11-18-13-14-7-4-5-12-19-14/h2-5,7-9,12,18H,6,10-11,13H2,1H3
InChIKeyKAYLYPHBUPOCIR-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.69
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

3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 22256513
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 83962036) is 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is Cn1c(CCCNCc2ccccn2)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is KAYLYPHBUPOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21-16-9-3-2-8-15(16)20-17(21)10-6-11-18-13-14-7-4-5-12-19-14/h2-5,7-9,12,18H,6,10-11,13H2,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83962036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).