6-(3-methylbutyl)-1H-benzimidazole

C12H16N2 — CID 58439474

IUPAC6-(3-methylbutyl)-1H-benzimidazole
SMILESCC(C)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNYUPPOCIQRGVKL-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.15
Rot. Bonds3

About 6-(3-methylbutyl)-1H-benzimidazole

6-(3-methylbutyl)-1H-benzimidazole (PubChem CID 58439474) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(3-methylbutyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(3-methylbutyl)-1H-benzimidazole
PubChem CID58439474
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(3-methylbutyl)-1H-benzimidazole
SMILESCC(C)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyNYUPPOCIQRGVKL-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
6-pentyl-1H-benzimidazole
CID 58767911
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-1H-benzimidazole?
The IUPAC name of 6-(3-methylbutyl)-1H-benzimidazole (CID 58439474) is 6-(3-methylbutyl)-1H-benzimidazole.
What is the SMILES notation for 6-(3-methylbutyl)-1H-benzimidazole?
The canonical SMILES for 6-(3-methylbutyl)-1H-benzimidazole is CC(C)CCc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(3-methylbutyl)-1H-benzimidazole?
The InChIKey is NYUPPOCIQRGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11/h5-9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-(3-methylbutyl)-1H-benzimidazole?
6-(3-methylbutyl)-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-1H-benzimidazole is sourced from PubChem (CID 58439474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).