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

C15H22N2 — CID 4004972

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 Name1-butyl-2-(2-methylpropyl)benzimidazole
PubChem CID4004972
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-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
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547

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).