2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole

C20H22N2 — CID 11426309

IUPAC2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
SMILESc1ccc(C(c2nc3ccccc3[nH]2)C2CCCCC2)cc1
InChIInChI=1S/C20H22N2/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,21,22)
InChIKeyQIUUASDUULWILV-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.28
Rot. Bonds3

About 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole

2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole (PubChem CID 11426309) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
PubChem CID11426309
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
SMILESc1ccc(C(c2nc3ccccc3[nH]2)C2CCCCC2)cc1
InChIInChI=1S/C20H22N2/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,21,22)
InChIKeyQIUUASDUULWILV-UHFFFAOYSA-N
XLogP5.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-propan-2-yl-1H-benzimidazole
CID 22121
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
CID 69063940
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole (CID 11426309) is 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole is c1ccc(C(c2nc3ccccc3[nH]2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole?
The InChIKey is QIUUASDUULWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,21,22).
What are the key properties of 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole?
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole has a molecular weight of 290.41 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 11426309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).