1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole

C23H29N3O — CID 141391428

IUPAC1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
SMILESCCOCCn1c(C2CCN(c3ccc(C)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-27-17-16-26-22-7-5-4-6-21(22)24-23(26)19-12-14-25(15-13-19)20-10-8-18(2)9-11-20/h4-11,19H,3,12-17H2,1-2H3
InChIKeyFBMJVIQGIBUTIW-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.77
Rot. Bonds6

About 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole

1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole (PubChem CID 141391428) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
PubChem CID141391428
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
SMILESCCOCCn1c(C2CCN(c3ccc(C)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-27-17-16-26-22-7-5-4-6-21(22)24-23(26)19-12-14-25(15-13-19)20-10-8-18(2)9-11-20/h4-11,19H,3,12-17H2,1-2H3
InChIKeyFBMJVIQGIBUTIW-UHFFFAOYSA-N
XLogP4.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
(4S)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 35179943
(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 46889258
2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
CID 18878595
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid;dihydrate
CID 140940128
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964844
methyl 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propanoate
CID 141410027
(4S)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7011289

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole (CID 141391428) is 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole is CCOCCn1c(C2CCN(c3ccc(C)cc3)CC2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole?
The InChIKey is FBMJVIQGIBUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-27-17-16-26-22-7-5-4-6-21(22)24-23(26)19-12-14-25(15-13-19)20-10-8-18(2)9-11-20/h4-11,19H,3,12-17H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole?
1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 141391428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).