2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine

C17H27N3 — CID 115970737

IUPAC2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNCC(C)C
InChIInChI=1S/C17H27N3/c1-4-8-17-19-15-9-5-6-10-16(15)20(17)12-7-11-18-13-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyFRPORCHRIZYSPM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.62
Rot. Bonds8

About 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine

2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine (PubChem CID 115970737) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
PubChem CID115970737
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
SMILESCCCc1nc2ccccc2n1CCCNCC(C)C
InChIInChI=1S/C17H27N3/c1-4-8-17-19-15-9-5-6-10-16(15)20(17)12-7-11-18-13-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyFRPORCHRIZYSPM-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
1-cyclopropyl-N-[2-(2-propylbenzimidazol-1-yl)ethyl]ethanamine
CID 115971092
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine (CID 115970737) is 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine is CCCc1nc2ccccc2n1CCCNCC(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine?
The InChIKey is FRPORCHRIZYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-8-17-19-15-9-5-6-10-16(15)20(17)12-7-11-18-13-14(2)3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine?
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 115970737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).