6-pentan-3-yl-1H-benzimidazole

C12H16N2 — CID 134401277

IUPAC6-pentan-3-yl-1H-benzimidazole
SMILESCCC(CC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-3-9(4-2)10-5-6-11-12(7-10)14-8-13-11/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyMRDFMACJPVTCTO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.47
Rot. Bonds3

About 6-pentan-3-yl-1H-benzimidazole

6-pentan-3-yl-1H-benzimidazole (PubChem CID 134401277) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-pentan-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-pentan-3-yl-1H-benzimidazole
PubChem CID134401277
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-pentan-3-yl-1H-benzimidazole
SMILESCCC(CC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-3-9(4-2)10-5-6-11-12(7-10)14-8-13-11/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyMRDFMACJPVTCTO-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
CID 82497699
1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
CID 116913369
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
CID 157410638
CID 157410638
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969

Frequently Asked Questions

What is the IUPAC name of 6-pentan-3-yl-1H-benzimidazole?
The IUPAC name of 6-pentan-3-yl-1H-benzimidazole (CID 134401277) is 6-pentan-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-pentan-3-yl-1H-benzimidazole?
The canonical SMILES for 6-pentan-3-yl-1H-benzimidazole is CCC(CC)c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-pentan-3-yl-1H-benzimidazole?
The InChIKey is MRDFMACJPVTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-9(4-2)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-pentan-3-yl-1H-benzimidazole?
6-pentan-3-yl-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-3-yl-1H-benzimidazole is sourced from PubChem (CID 134401277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).