1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one

C18H24N2O — CID 115782360

IUPAC1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)CC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-20-17-11-7-6-10-16(17)19-18(20)13-15(21)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyCQHMGJKBZZDWRS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds4

About 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one

1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 115782360) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID115782360
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCn1c(CC(=O)CC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-20-17-11-7-6-10-16(17)19-18(20)13-15(21)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyCQHMGJKBZZDWRS-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one (CID 115782360) is 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one is Cn1c(CC(=O)CC2CCCCCC2)nc2ccccc21.
What is the InChIKey of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is CQHMGJKBZZDWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20-17-11-7-6-10-16(17)19-18(20)13-15(21)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one?
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 284.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 115782360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).