N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

C23H23N3O2 — CID 1122998

IUPACN-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-3-28-21-9-4-17(5-10-21)15-24-18-6-13-23-22(14-18)25-16-26(23)19-7-11-20(27-2)12-8-19/h4-14,16,24H,3,15H2,1-2H3
InChIKeyXDOLHGQIESJYPU-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.04
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 1122998) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID1122998
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-3-28-21-9-4-17(5-10-21)15-24-18-6-13-23-22(14-18)25-16-26(23)19-7-11-20(27-2)12-8-19/h4-14,16,24H,3,15H2,1-2H3
InChIKeyXDOLHGQIESJYPU-UHFFFAOYSA-N
XLogP5.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (CID 1122998) is N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is CCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is XDOLHGQIESJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-28-21-9-4-17(5-10-21)15-24-18-6-13-23-22(14-18)25-16-26(23)19-7-11-20(27-2)12-8-19/h4-14,16,24H,3,15H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 373.46 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 1122998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).