4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol

C15H23N3O — CID 83962016

IUPAC4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
SMILESCn1c(CCCNCCCCO)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-11-16-10-4-5-12-19/h2-3,7-8,16,19H,4-6,9-12H2,1H3
InChIKeyIHENAXKVBYDHRZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds8

About 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol

4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol (PubChem CID 83962016) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol.

Molecular Properties

Compound Name4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
PubChem CID83962016
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
SMILESCn1c(CCCNCCCCO)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-11-16-10-4-5-12-19/h2-3,7-8,16,19H,4-6,9-12H2,1H3
InChIKeyIHENAXKVBYDHRZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
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)propan-1-ol
CID 4585215
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol?
The IUPAC name of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol (CID 83962016) is 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol.
What is the SMILES notation for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol?
The canonical SMILES for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol is Cn1c(CCCNCCCCO)nc2ccccc21.
What is the InChIKey of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol?
The InChIKey is IHENAXKVBYDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-11-16-10-4-5-12-19/h2-3,7-8,16,19H,4-6,9-12H2,1H3.
What are the key properties of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol?
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol is sourced from PubChem (CID 83962016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).