1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium

C17H22N2OV — CID 158055822

IUPAC1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
SMILESCC(=O)C1CCC(Cc2nc3ccc(C)cc3[nH]2)CC1.[V]
InChIInChI=1S/C17H22N2O.V/c1-11-3-8-15-16(9-11)19-17(18-15)10-13-4-6-14(7-5-13)12(2)20;/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,18,19);
InChIKeyFKARCACRSJRJIJ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium

1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium (PubChem CID 158055822) has the molecular formula C17H22N2OV and a molecular weight of 321.32 g/mol. Its IUPAC name is 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium.

Molecular Properties

Compound Name1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
PubChem CID158055822
Molecular FormulaC17H22N2OV
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
SMILESCC(=O)C1CCC(Cc2nc3ccc(C)cc3[nH]2)CC1.[V]
InChIInChI=1S/C17H22N2O.V/c1-11-3-8-15-16(9-11)19-17(18-15)10-13-4-6-14(7-5-13)12(2)20;/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,18,19);
InChIKeyFKARCACRSJRJIJ-UHFFFAOYSA-N
XLogP3.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
2-[3-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-yl]acetic acid
CID 162799746
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium?
The IUPAC name of 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium (CID 158055822) is 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium.
What is the SMILES notation for 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium?
The canonical SMILES for 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium is CC(=O)C1CCC(Cc2nc3ccc(C)cc3[nH]2)CC1.[V].
What is the InChIKey of 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium?
The InChIKey is FKARCACRSJRJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.V/c1-11-3-8-15-16(9-11)19-17(18-15)10-13-4-6-14(7-5-13)12(2)20;/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,18,19);.
What are the key properties of 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium?
1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium has a molecular weight of 321.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium is sourced from PubChem (CID 158055822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).