4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine

C19H27N3O2 — CID 175756694

IUPAC4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
SMILESCOc1nc2ccc(N3CCOCC3)cc2n1CCCCC1CC1
InChIInChI=1S/C19H27N3O2/c1-23-19-20-17-8-7-16(21-10-12-24-13-11-21)14-18(17)22(19)9-3-2-4-15-5-6-15/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyCKXTXAUGDSQIDE-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.46
Rot. Bonds7

About 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine

4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine (PubChem CID 175756694) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
PubChem CID175756694
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
SMILESCOc1nc2ccc(N3CCOCC3)cc2n1CCCCC1CC1
InChIInChI=1S/C19H27N3O2/c1-23-19-20-17-8-7-16(21-10-12-24-13-11-21)14-18(17)22(19)9-3-2-4-15-5-6-15/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyCKXTXAUGDSQIDE-UHFFFAOYSA-N
XLogP3.46
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine (CID 175756694) is 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine is COc1nc2ccc(N3CCOCC3)cc2n1CCCCC1CC1.
What is the InChIKey of 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine?
The InChIKey is CKXTXAUGDSQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-23-19-20-17-8-7-16(21-10-12-24-13-11-21)14-18(17)22(19)9-3-2-4-15-5-6-15/h7-8,14-15H,2-6,9-13H2,1H3.
What are the key properties of 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine?
4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine has a molecular weight of 329.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine is sourced from PubChem (CID 175756694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).