N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine

C24H30N4O2 — CID 143022457

IUPACN-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine
SMILESCCC1(N(C)c2ccc3c(c2)nc(Cc2ccccn2)n3CC2CCOCC2)CO1
InChIInChI=1S/C24H30N4O2/c1-3-24(17-30-24)27(2)20-7-8-22-21(15-20)26-23(14-19-6-4-5-11-25-19)28(22)16-18-9-12-29-13-10-18/h4-8,11,15,18H,3,9-10,12-14,16-17H2,1-2H3
InChIKeyLFMFYPKPJAVLKW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.02
Rot. Bonds7

About N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine

N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine (PubChem CID 143022457) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine
PubChem CID143022457
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine
SMILESCCC1(N(C)c2ccc3c(c2)nc(Cc2ccccn2)n3CC2CCOCC2)CO1
InChIInChI=1S/C24H30N4O2/c1-3-24(17-30-24)27(2)20-7-8-22-21(15-20)26-23(14-19-6-4-5-11-25-19)28(22)16-18-9-12-29-13-10-18/h4-8,11,15,18H,3,9-10,12-14,16-17H2,1-2H3
InChIKeyLFMFYPKPJAVLKW-UHFFFAOYSA-N
XLogP4.02
TPSA55.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-yl]acetamide
CID 58836899
N-methyl-N-[1-(oxan-4-ylmethyl)-2-propylbenzimidazol-5-yl]benzenesulfinamide
CID 143021986
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
N-[2-(1,1-difluoroethyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11385374
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640
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
[2-[methyl-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]urea
CID 90921357
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfanylaniline
CID 143561900
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine (CID 143022457) is N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine is CCC1(N(C)c2ccc3c(c2)nc(Cc2ccccn2)n3CC2CCOCC2)CO1.
What is the InChIKey of N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is LFMFYPKPJAVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-24(17-30-24)27(2)20-7-8-22-21(15-20)26-23(14-19-6-4-5-11-25-19)28(22)16-18-9-12-29-13-10-18/h4-8,11,15,18H,3,9-10,12-14,16-17H2,1-2H3.
What are the key properties of N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine?
N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 406.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyloxiran-2-yl)-N-methyl-1-(oxan-4-ylmethyl)-2-(pyridin-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 143022457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).