ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate

C23H27N3O2 — CID 134084341

IUPACethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-2-28-23(27)19-12-14-25(15-13-19)17-22-24-20-10-6-7-11-21(20)26(22)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyJAWDMKAWSUHDKB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.86
Rot. Bonds6

About ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 134084341) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
PubChem CID134084341
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Nameethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-2-28-23(27)19-12-14-25(15-13-19)17-22-24-20-10-6-7-11-21(20)26(22)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyJAWDMKAWSUHDKB-UHFFFAOYSA-N
XLogP3.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
[2-[[2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]benzimidazol-1-yl]methyl]benzimidazol-1-yl]-methylborinic acid
CID 21026311
ethyl 1-[[6-chloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxylate
CID 134084281
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
ethyl (3R)-1-[4-[(2-benzylbenzimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 93301680
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
ethyl 1-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084253
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205
[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate (CID 134084341) is ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is JAWDMKAWSUHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-28-23(27)19-12-14-25(15-13-19)17-22-24-20-10-6-7-11-21(20)26(22)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 134084341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).