2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole

C11H18N2 — CID 10511534

IUPAC2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H18N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h2-8H2,1H3,(H,12,13)
InChIKeyIXVFUAMUGPITMV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.63
Rot. Bonds3

About 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 10511534) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID10511534
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H18N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h2-8H2,1H3,(H,12,13)
InChIKeyIXVFUAMUGPITMV-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime
CID 5411902
4,5,6,7-Tetrahydro-1H-benzimidazole
CID 304263
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
N-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)acetamide
CID 11819615
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582978
2-[(E)-heptadec-8-enyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582979
4,4'-Methylene-bis(2-ethyl-5-methylimidazole)
CID 13685304
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
2-bromo-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 33778496
2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 71692500

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 10511534) is 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole is CCCCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is IXVFUAMUGPITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h2-8H2,1H3,(H,12,13).
What are the key properties of 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 10511534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).