2-(6-cyclohexylhexyl)-1H-benzimidazole

C19H28N2 — CID 141189799

IUPAC2-(6-cyclohexylhexyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCCCCC3CCCCC3)nc2c1
InChIInChI=1S/C19H28N2/c1(4-10-16-11-5-3-6-12-16)2-7-15-19-20-17-13-8-9-14-18(17)21-19/h8-9,13-14,16H,1-7,10-12,15H2,(H,20,21)
InChIKeyLTCFSFULDOTHEL-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.64
Rot. Bonds7

About 2-(6-cyclohexylhexyl)-1H-benzimidazole

2-(6-cyclohexylhexyl)-1H-benzimidazole (PubChem CID 141189799) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(6-cyclohexylhexyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-cyclohexylhexyl)-1H-benzimidazole
PubChem CID141189799
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-(6-cyclohexylhexyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCCCCC3CCCCC3)nc2c1
InChIInChI=1S/C19H28N2/c1(4-10-16-11-5-3-6-12-16)2-7-15-19-20-17-13-8-9-14-18(17)21-19/h8-9,13-14,16H,1-7,10-12,15H2,(H,20,21)
InChIKeyLTCFSFULDOTHEL-UHFFFAOYSA-N
XLogP5.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
2-(10-phenyldecyl)-1H-benzimidazole
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2-docosyl-1H-benzimidazole
CID 141189761
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
CID 87640795
CID 87640795
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexylhexyl)-1H-benzimidazole?
The IUPAC name of 2-(6-cyclohexylhexyl)-1H-benzimidazole (CID 141189799) is 2-(6-cyclohexylhexyl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-cyclohexylhexyl)-1H-benzimidazole?
The canonical SMILES for 2-(6-cyclohexylhexyl)-1H-benzimidazole is c1ccc2[nH]c(CCCCCCC3CCCCC3)nc2c1.
What is the InChIKey of 2-(6-cyclohexylhexyl)-1H-benzimidazole?
The InChIKey is LTCFSFULDOTHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1(4-10-16-11-5-3-6-12-16)2-7-15-19-20-17-13-8-9-14-18(17)21-19/h8-9,13-14,16H,1-7,10-12,15H2,(H,20,21).
What are the key properties of 2-(6-cyclohexylhexyl)-1H-benzimidazole?
2-(6-cyclohexylhexyl)-1H-benzimidazole has a molecular weight of 284.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexylhexyl)-1H-benzimidazole is sourced from PubChem (CID 141189799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).