2-cyclopropyl-1-hexyl-5-methoxybenzimidazole

C17H24N2O — CID 134083858

IUPAC2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
SMILESCCCCCCn1c(C2CC2)nc2cc(OC)ccc21
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-11-19-16-10-9-14(20-2)12-15(16)18-17(19)13-7-8-13/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyTWBGOJRRCOBWCT-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.50
Rot. Bonds7

About 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole

2-cyclopropyl-1-hexyl-5-methoxybenzimidazole (PubChem CID 134083858) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
PubChem CID134083858
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
SMILESCCCCCCn1c(C2CC2)nc2cc(OC)ccc21
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-11-19-16-10-9-14(20-2)12-15(16)18-17(19)13-7-8-13/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyTWBGOJRRCOBWCT-UHFFFAOYSA-N
XLogP4.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242754
1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole?
The IUPAC name of 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole (CID 134083858) is 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole?
The canonical SMILES for 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole is CCCCCCn1c(C2CC2)nc2cc(OC)ccc21.
What is the InChIKey of 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole?
The InChIKey is TWBGOJRRCOBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-11-19-16-10-9-14(20-2)12-15(16)18-17(19)13-7-8-13/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole?
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole has a molecular weight of 272.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-hexyl-5-methoxybenzimidazole is sourced from PubChem (CID 134083858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).