4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C22H27N5O2 — CID 22040925

IUPAC4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCC2)n3C)ccn1
InChIInChI=1S/C22H27N5O2/c1-23-21(28)19-13-17(10-11-24-19)29-16-8-9-20-18(12-16)26-22(27(20)2)25-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyAELMZARIIRBFQD-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.11
Rot. Bonds6

About 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22040925) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22040925
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCC2)n3C)ccn1
InChIInChI=1S/C22H27N5O2/c1-23-21(28)19-13-17(10-11-24-19)29-16-8-9-20-18(12-16)26-22(27(20)2)25-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyAELMZARIIRBFQD-UHFFFAOYSA-N
XLogP4.11
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22040925) is 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCC2)n3C)ccn1.
What is the InChIKey of 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is AELMZARIIRBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-23-21(28)19-13-17(10-11-24-19)29-16-8-9-20-18(12-16)26-22(27(20)2)25-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).