2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine

C23H30N4O — CID 59799759

IUPAC2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine
SMILESCCOc1ccc(Cc2nc3cc(N)ccc3n2CCC2CCCN2C)cc1
InChIInChI=1S/C23H30N4O/c1-3-28-20-9-6-17(7-10-20)15-23-25-21-16-18(24)8-11-22(21)27(23)14-12-19-5-4-13-26(19)2/h6-11,16,19H,3-5,12-15,24H2,1-2H3
InChIKeyBJXYWSFXIRASJY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds7

About 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine

2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine (PubChem CID 59799759) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine
PubChem CID59799759
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine
SMILESCCOc1ccc(Cc2nc3cc(N)ccc3n2CCC2CCCN2C)cc1
InChIInChI=1S/C23H30N4O/c1-3-28-20-9-6-17(7-10-20)15-23-25-21-16-18(24)8-11-22(21)27(23)14-12-19-5-4-13-26(19)2/h6-11,16,19H,3-5,12-15,24H2,1-2H3
InChIKeyBJXYWSFXIRASJY-UHFFFAOYSA-N
XLogP4.09
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)benzimidazole-5-sulfonamide
CID 22181395
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
2-(chloromethyl)-5-methoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020520
[1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanethione
CID 22181293
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 11953608
2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3-benzothiazol-6-amine
CID 55173608
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine (CID 59799759) is 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine is CCOc1ccc(Cc2nc3cc(N)ccc3n2CCC2CCCN2C)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine?
The InChIKey is BJXYWSFXIRASJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-28-20-9-6-17(7-10-20)15-23-25-21-16-18(24)8-11-22(21)27(23)14-12-19-5-4-13-26(19)2/h6-11,16,19H,3-5,12-15,24H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine?
2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine has a molecular weight of 378.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 59799759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).