N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

C23H30N4O2 — CID 663110

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)c(OC)c1
InChIInChI=1S/C23H30N4O2/c1-28-19-11-10-18(22(16-19)29-2)17-24-23-25-20-8-4-5-9-21(20)27(23)15-14-26-12-6-3-7-13-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25)
InChIKeyVUYAHXCPCFREIL-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.15
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 663110) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
PubChem CID663110
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)c(OC)c1
InChIInChI=1S/C23H30N4O2/c1-28-19-11-10-18(22(16-19)29-2)17-24-23-25-20-8-4-5-9-21(20)27(23)15-14-26-12-6-3-7-13-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25)
InChIKeyVUYAHXCPCFREIL-UHFFFAOYSA-N
XLogP4.15
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Astemizole
CID 2247
Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
Carm1-IN-3
CID 44622850
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
8-(2,4-Dimethoxyphenyl)-9H-purine-2,6-diamine
CID 457736
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
N-(4-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 1090103

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (CID 663110) is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is COc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is VUYAHXCPCFREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-28-19-11-10-18(22(16-19)29-2)17-24-23-25-20-8-4-5-9-21(20)27(23)15-14-26-12-6-3-7-13-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 394.52 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 663110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).