3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

C14H18N6 — CID 62756291

IUPAC3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCn2cnc3ccccc32)nn1
InChIInChI=1S/C14H18N6/c1-19-10-12(17-18-19)9-15-7-4-8-20-11-16-13-5-2-3-6-14(13)20/h2-3,5-6,10-11,15H,4,7-9H2,1H3
InChIKeyKWXRDILXKGSVOO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.34
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 62756291) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID62756291
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCn2cnc3ccccc32)nn1
InChIInChI=1S/C14H18N6/c1-19-10-12(17-18-19)9-15-7-4-8-20-11-16-13-5-2-3-6-14(13)20/h2-3,5-6,10-11,15H,4,7-9H2,1H3
InChIKeyKWXRDILXKGSVOO-UHFFFAOYSA-N
XLogP1.34
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 55109662
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
3-(benzimidazol-1-yl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 104878480
3-(benzimidazol-1-yl)-N-[(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 115379810
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
bis(1-butylbenzimidazole);ethane
CID 142164287
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
5-[[3-(benzimidazol-1-yl)propylamino]methyl]thiophene-3-carbonitrile
CID 79538680
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
CID 43094155

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (CID 62756291) is 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is Cn1cc(CNCCCn2cnc3ccccc32)nn1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is KWXRDILXKGSVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-19-10-12(17-18-19)9-15-7-4-8-20-11-16-13-5-2-3-6-14(13)20/h2-3,5-6,10-11,15H,4,7-9H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62756291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).