1-butyl-2-(2-methylpropyl)benzimidazole

Name: 1-butyl-2-(2-methylpropyl)benzimidazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₂N₂ — CID 4004972

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC1-butyl-2-(2-methylpropyl)benzimidazole

SMILESCCCCn1c(CC(C)C)nc2ccccc21

InChIInChI=1S/C15H22N2/c1-4-5-10-17-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3

InChIKeyTVRXCNRCIAZPBM-UHFFFAOYSA-N

MW230.35 g/mol

LogP4.03

Rot. Bonds5

About 1-butyl-2-(2-methylpropyl)benzimidazole

1-butyl-2-(2-methylpropyl)benzimidazole (PubChem CID 4004972) has the molecular formula C₁₅H₂₂N₂ and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-butyl-2-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name	1-butyl-2-(2-methylpropyl)benzimidazole
PubChem CID	4004972
Molecular Formula	C₁₅H₂₂N₂
Molecular Weight	230.35 g/mol
Exact Mass	230.18
IUPAC Name	1-butyl-2-(2-methylpropyl)benzimidazole
SMILES	CCCCn1c(CC(C)C)nc2ccccc21
InChI	InChI=1S/C15H22N2/c1-4-5-10-17-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey	TVRXCNRCIAZPBM-UHFFFAOYSA-N
XLogP	4.03
TPSA	17.82 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.35
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylpropyl)benzimidazole?

The IUPAC name of 1-butyl-2-(2-methylpropyl)benzimidazole (CID 4004972) is 1-butyl-2-(2-methylpropyl)benzimidazole.

What is the SMILES notation for 1-butyl-2-(2-methylpropyl)benzimidazole?

The canonical SMILES for 1-butyl-2-(2-methylpropyl)benzimidazole is CCCCn1c(CC(C)C)nc2ccccc21.

What is the InChIKey of 1-butyl-2-(2-methylpropyl)benzimidazole?

The InChIKey is TVRXCNRCIAZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-5-10-17-14-9-7-6-8-13(14)16-15(17)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3.

What are the key properties of 1-butyl-2-(2-methylpropyl)benzimidazole?

1-butyl-2-(2-methylpropyl)benzimidazole has a molecular weight of 230.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-2-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 4004972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 4004972 — identifiers, structure, computed properties (public domain)

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