N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine

C22H26N4O — CID 87417036

IUPACN-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine
SMILESCCON=C(C)c1ccc2c(c1)ncn2-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H26N4O/c1-3-27-24-17(2)19-9-10-22-21(14-19)23-16-26(22)20-8-6-7-18(13-20)15-25-11-4-5-12-25/h6-10,13-14,16H,3-5,11-12,15H2,1-2H3
InChIKeyOPHPQBJTRCWHHW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.38
Rot. Bonds6

About N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine

N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine (PubChem CID 87417036) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine.

Molecular Properties

Compound NameN-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine
PubChem CID87417036
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine
SMILESCCON=C(C)c1ccc2c(c1)ncn2-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H26N4O/c1-3-27-24-17(2)19-9-10-22-21(14-19)23-16-26(22)20-8-6-7-18(13-20)15-25-11-4-5-12-25/h6-10,13-14,16H,3-5,11-12,15H2,1-2H3
InChIKeyOPHPQBJTRCWHHW-UHFFFAOYSA-N
XLogP4.38
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-[5-(N-methoxy-C-methylcarbonimidoyl)benzimidazol-1-yl]phenyl]pyrimidin-2-amine
CID 87417006
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carbaldehyde
CID 89494067
2-methoxyethyl 1-[3-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]phenyl]benzimidazole-5-carboxylate
CID 10185746
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide
CID 87288110
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole
CID 11439904
N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine
CID 143309614
2-hydroxyethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate
CID 22330133
1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
CID 24768668

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine?
The IUPAC name of N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine (CID 87417036) is N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine.
What is the SMILES notation for N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine?
The canonical SMILES for N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine is CCON=C(C)c1ccc2c(c1)ncn2-c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine?
The InChIKey is OPHPQBJTRCWHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-27-24-17(2)19-9-10-22-21(14-19)23-16-26(22)20-8-6-7-18(13-20)15-25-11-4-5-12-25/h6-10,13-14,16H,3-5,11-12,15H2,1-2H3.
What are the key properties of N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine?
N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine has a molecular weight of 362.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine is sourced from PubChem (CID 87417036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).