3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol

C19H29N3O2 — CID 121452091

IUPAC3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
SMILESCCOCCn1c(C2CCN(CCCO)CC2)nc2ccccc21
InChIInChI=1S/C19H29N3O2/c1-2-24-15-13-22-18-7-4-3-6-17(18)20-19(22)16-8-11-21(12-9-16)10-5-14-23/h3-4,6-7,16,23H,2,5,8-15H2,1H3
InChIKeyFMMNCTACWXAKOI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.63
Rot. Bonds8

About 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol

3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol (PubChem CID 121452091) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
PubChem CID121452091
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
SMILESCCOCCn1c(C2CCN(CCCO)CC2)nc2ccccc21
InChIInChI=1S/C19H29N3O2/c1-2-24-15-13-22-18-7-4-3-6-17(18)20-19(22)16-8-11-21(12-9-16)10-5-14-23/h3-4,6-7,16,23H,2,5,8-15H2,1H3
InChIKeyFMMNCTACWXAKOI-UHFFFAOYSA-N
XLogP2.63
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
CID 141391428
2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid;dihydrate
CID 140940128
methyl 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propanoate
CID 141410027
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
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
2-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
CID 18878595
(4S)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 35179943
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol (CID 121452091) is 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol is CCOCCn1c(C2CCN(CCCO)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol?
The InChIKey is FMMNCTACWXAKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-24-15-13-22-18-7-4-3-6-17(18)20-19(22)16-8-11-21(12-9-16)10-5-14-23/h3-4,6-7,16,23H,2,5,8-15H2,1H3.
What are the key properties of 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol?
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 121452091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).