4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide

C23H27N3O2 — CID 162651512

IUPAC4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide
SMILESCc1cccc(Cc2nc3cc(OC4CCC(C(N)=O)CC4)ccc3n2C)c1
InChIInChI=1S/C23H27N3O2/c1-15-4-3-5-16(12-15)13-22-25-20-14-19(10-11-21(20)26(22)2)28-18-8-6-17(7-9-18)23(24)27/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H2,24,27)
InChIKeyKGYSDBXPMZPSKZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.90
Rot. Bonds5

About 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide

4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide (PubChem CID 162651512) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide
PubChem CID162651512
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide
SMILESCc1cccc(Cc2nc3cc(OC4CCC(C(N)=O)CC4)ccc3n2C)c1
InChIInChI=1S/C23H27N3O2/c1-15-4-3-5-16(12-15)13-22-25-20-14-19(10-11-21(20)26(22)2)28-18-8-6-17(7-9-18)23(24)27/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H2,24,27)
InChIKeyKGYSDBXPMZPSKZ-UHFFFAOYSA-N
XLogP3.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide?
The IUPAC name of 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide (CID 162651512) is 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide is Cc1cccc(Cc2nc3cc(OC4CCC(C(N)=O)CC4)ccc3n2C)c1.
What is the InChIKey of 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide?
The InChIKey is KGYSDBXPMZPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-4-3-5-16(12-15)13-22-25-20-14-19(10-11-21(20)26(22)2)28-18-8-6-17(7-9-18)23(24)27/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H2,24,27).
What are the key properties of 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide?
4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-[(3-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxamide is sourced from PubChem (CID 162651512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).