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

C16H19N5 — CID 83962034

IUPAC3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCn1c(CCCNCc2cnccn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-8-17-11-13-12-18-9-10-19-13/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3
InChIKeyZAJBPBXLTJDTKI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.09
Rot. Bonds6

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

3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine (PubChem CID 83962034) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
PubChem CID83962034
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESCn1c(CCCNCc2cnccn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-8-17-11-13-12-18-9-10-19-13/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3
InChIKeyZAJBPBXLTJDTKI-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine (CID 83962034) is 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine is Cn1c(CCCNCc2cnccn2)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
The InChIKey is ZAJBPBXLTJDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-8-17-11-13-12-18-9-10-19-13/h2-3,5-6,9-10,12,17H,4,7-8,11H2,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine?
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83962034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).