1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C27H29N5O — CID 20883130

IUPAC1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(N2CCC(C(=O)NCc3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C27H29N5O/c1-20-8-2-3-9-22(20)19-32-25-12-5-4-11-24(25)30-27(32)31-16-13-21(14-17-31)26(33)29-18-23-10-6-7-15-28-23/h2-12,15,21H,13-14,16-19H2,1H3,(H,29,33)
InChIKeyYXYLGFFBQLFODY-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.32
Rot. Bonds6

About 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 20883130) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID20883130
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(N2CCC(C(=O)NCc3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C27H29N5O/c1-20-8-2-3-9-22(20)19-32-25-12-5-4-11-24(25)30-27(32)31-16-13-21(14-17-31)26(33)29-18-23-10-6-7-15-28-23/h2-12,15,21H,13-14,16-19H2,1H3,(H,29,33)
InChIKeyYXYLGFFBQLFODY-UHFFFAOYSA-N
XLogP4.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 20883130) is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1ccccc1Cn1c(N2CCC(C(=O)NCc3ccccn3)CC2)nc2ccccc21.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YXYLGFFBQLFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-20-8-2-3-9-22(20)19-32-25-12-5-4-11-24(25)30-27(32)31-16-13-21(14-17-31)26(33)29-18-23-10-6-7-15-28-23/h2-12,15,21H,13-14,16-19H2,1H3,(H,29,33).
What are the key properties of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20883130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).