2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole

C14H16N2 — CID 170908536

IUPAC2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole
SMILESCC1=CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H16N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyDZUYLDNNCYYDID-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.78
Rot. Bonds1

About 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole

2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole (PubChem CID 170908536) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole
PubChem CID170908536
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole
SMILESCC1=CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H16N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyDZUYLDNNCYYDID-UHFFFAOYSA-N
XLogP3.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
CID 15423365
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole (CID 170908536) is 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole is CC1=CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole?
The InChIKey is DZUYLDNNCYYDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-6,11H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole?
2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole has a molecular weight of 212.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole is sourced from PubChem (CID 170908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).