methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate

C22H25N3O2 — CID 10546679

IUPACmethyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N1CCC(C)CC1)n2Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)22-23-19-14-18(21(26)27-2)8-9-20(19)25(22)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyYTOYKAMYMSUHPV-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.11
Rot. Bonds4

About methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate

methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate (PubChem CID 10546679) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
PubChem CID10546679
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namemethyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N1CCC(C)CC1)n2Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)22-23-19-14-18(21(26)27-2)8-9-20(19)25(22)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyYTOYKAMYMSUHPV-UHFFFAOYSA-N
XLogP4.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200456
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
methyl 3-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200415
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200341
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827
6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
CID 10714425
methyl 4-[(5-benzoyl-2-propylbenzimidazol-1-yl)methyl]benzoate
CID 15546115
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
deuterioethane;methyl 1-benzyl-3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoquinoxaline-6-carboxylate;methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoxaline-6-carboxylate;trichloroalumane
CID 160520796

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate (CID 10546679) is methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(N1CCC(C)CC1)n2Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate?
The InChIKey is YTOYKAMYMSUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)22-23-19-14-18(21(26)27-2)8-9-20(19)25(22)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate?
methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate is sourced from PubChem (CID 10546679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).