3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

C28H33N5O2 — CID 164600972

IUPAC3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2CC2CCC(O)CC2)c1
InChIInChI=1S/C28H33N5O2/c29-17-21-5-4-6-23(15-21)27(35)31-28-30-25-16-22(18-32-13-2-1-3-14-32)9-12-26(25)33(28)19-20-7-10-24(34)11-8-20/h4-6,9,12,15-16,20,24,34H,1-3,7-8,10-11,13-14,18-19H2,(H,30,31,35)
InChIKeyYKORJXGHIDMVFY-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.70
Rot. Bonds6

About 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (PubChem CID 164600972) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
PubChem CID164600972
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2CC2CCC(O)CC2)c1
InChIInChI=1S/C28H33N5O2/c29-17-21-5-4-6-23(15-21)27(35)31-28-30-25-16-22(18-32-13-2-1-3-14-32)9-12-26(25)33(28)19-20-7-10-24(34)11-8-20/h4-6,9,12,15-16,20,24,34H,1-3,7-8,10-11,13-14,18-19H2,(H,30,31,35)
InChIKeyYKORJXGHIDMVFY-UHFFFAOYSA-N
XLogP4.70
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600976
3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
CID 58742518
3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742876
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
CID 70947971
3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
CID 71869671
3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 56652402
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 58742754
3-cyano-N-[1-(3-methoxypropyl)-6-(piperidine-4-carbonyl)benzimidazol-2-yl]benzamide
CID 67045265
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
ethyl (E)-3-[2-[(3-cyanobenzoyl)amino]-1-propylbenzimidazol-5-yl]prop-2-enoate
CID 139444684
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 143413873

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (CID 164600972) is 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2CC2CCC(O)CC2)c1.
What is the InChIKey of 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The InChIKey is YKORJXGHIDMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c29-17-21-5-4-6-23(15-21)27(35)31-28-30-25-16-22(18-32-13-2-1-3-14-32)9-12-26(25)33(28)19-20-7-10-24(34)11-8-20/h4-6,9,12,15-16,20,24,34H,1-3,7-8,10-11,13-14,18-19H2,(H,30,31,35).
What are the key properties of 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide has a molecular weight of 471.61 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[(4-hydroxycyclohexyl)methyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 164600972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).