N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide

C22H26N4O2 — CID 58836899

IUPACN-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)nc(Cc1ccccn1)n2CC1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-16(27)25(2)19-6-7-21-20(14-19)24-22(13-18-5-3-4-10-23-18)26(21)15-17-8-11-28-12-9-17/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3
InChIKeyMLZHJNHCNRNIHD-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.43
Rot. Bonds5

About N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide

N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide (PubChem CID 58836899) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide
PubChem CID58836899
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)nc(Cc1ccccn1)n2CC1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-16(27)25(2)19-6-7-21-20(14-19)24-22(13-18-5-3-4-10-23-18)26(21)15-17-8-11-28-12-9-17/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3
InChIKeyMLZHJNHCNRNIHD-UHFFFAOYSA-N
XLogP3.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 143022457
N-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine;N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetamide
CID 159468711
N-methyl-N-[1-(oxan-4-ylmethyl)-2-propylbenzimidazol-5-yl]benzenesulfinamide
CID 143021986
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
N-[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11385374
4-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylamino]sulfanylbenzoic acid
CID 143203889
N-[4-[[2-(2-ethoxypropan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylamino]sulfanylphenyl]acetamide
CID 143022243
[2-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]urea
CID 90921357
N-[4-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]amino]sulfanylphenyl]acetamide
CID 143021897

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide (CID 58836899) is N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide is CC(=O)N(C)c1ccc2c(c1)nc(Cc1ccccn1)n2CC1CCOCC1.
What is the InChIKey of N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide?
The InChIKey is MLZHJNHCNRNIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(27)25(2)19-6-7-21-20(14-19)24-22(13-18-5-3-4-10-23-18)26(21)15-17-8-11-28-12-9-17/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide?
N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 58836899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).