3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide

C27H33N5O2 — CID 164600976

IUPAC3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1
InChIInChI=1S/C27H33N5O2/c28-25(33)20-8-7-9-21(17-20)26(34)30-27-29-23-16-19(18-31-14-5-2-6-15-31)12-13-24(23)32(27)22-10-3-1-4-11-22/h7-9,12-13,16-17,22H,1-6,10-11,14-15,18H2,(H2,28,33)(H,29,30,34)
InChIKeyDWGXJLWERDGCCB-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.88
Rot. Bonds6

About 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide

3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide (PubChem CID 164600976) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
PubChem CID164600976
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1
InChIInChI=1S/C27H33N5O2/c28-25(33)20-8-7-9-21(17-20)26(34)30-27-29-23-16-19(18-31-14-5-2-6-15-31)12-13-24(23)32(27)22-10-3-1-4-11-22/h7-9,12-13,16-17,22H,1-6,10-11,14-15,18H2,(H2,28,33)(H,29,30,34)
InChIKeyDWGXJLWERDGCCB-UHFFFAOYSA-N
XLogP4.88
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348727
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
CID 70947971
3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
CID 164600972
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447737
tert-butyl 4-[[1-[4-(hydroxymethyl)cyclohexyl]-2-[(3-methylbenzoyl)amino]benzimidazol-5-yl]methyl]piperazine-1-carboxylate;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperazin-1-ylmethyl)benzimidazol-2-yl]-3-methylbenzamide
CID 167589454
3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600980
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 52655657
ethyl 4-[2-amino-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657004

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide (CID 164600976) is 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.
What is the InChIKey of 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is DWGXJLWERDGCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c28-25(33)20-8-7-9-21(17-20)26(34)30-27-29-23-16-19(18-31-14-5-2-6-15-31)12-13-24(23)32(27)22-10-3-1-4-11-22/h7-9,12-13,16-17,22H,1-6,10-11,14-15,18H2,(H2,28,33)(H,29,30,34).
What are the key properties of 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide?
3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 164600976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).