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

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Related Compounds

4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 10217017
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040598
4-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-3H-benzimidazol-5-yl)oxy)-N-methyl-pyridine-2-carboxamide
CID 11167118
Benzimidazole-urea, 50
CID 10120050
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1-methyl-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156649
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 17755116
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212

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).