cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

C22H24N2O2 — CID 7171317

IUPACcyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC3CCCCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16-23-20-14-18(22(25)26-15-17-8-4-2-5-9-17)12-13-21(20)24(16)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3
InChIKeyVDZONOASNZMSNI-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.07
Rot. Bonds4

About cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7171317) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7171317
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Namecyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC3CCCCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16-23-20-14-18(22(25)26-15-17-8-4-2-5-9-17)12-13-21(20)24(16)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3
InChIKeyVDZONOASNZMSNI-UHFFFAOYSA-N
XLogP5.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4022244
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171281
[(1S)-2-oxocyclohexyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171323
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7171317) is cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)OCC3CCCCC3)ccc2n1-c1ccccc1.
What is the InChIKey of cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is VDZONOASNZMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-23-20-14-18(22(25)26-15-17-8-4-2-5-9-17)12-13-21(20)24(16)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3.
What are the key properties of cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7171317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).