1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole

C16H23N3O — CID 107070534

IUPAC1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2NCCCC2C)nc2cc(OC)ccc21
InChIInChI=1S/C16H23N3O/c1-4-19-14-8-7-12(20-3)10-13(14)18-16(19)15-11(2)6-5-9-17-15/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyLOUJTDGCSQFOMQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.13
Rot. Bonds3

About 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole

1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole (PubChem CID 107070534) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
PubChem CID107070534
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2NCCCC2C)nc2cc(OC)ccc21
InChIInChI=1S/C16H23N3O/c1-4-19-14-8-7-12(20-3)10-13(14)18-16(19)15-11(2)6-5-9-17-15/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyLOUJTDGCSQFOMQ-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070471
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83209762
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84794552
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole?
The IUPAC name of 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole (CID 107070534) is 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole?
The canonical SMILES for 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole is CCn1c(C2NCCCC2C)nc2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole?
The InChIKey is LOUJTDGCSQFOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-14-8-7-12(20-3)10-13(14)18-16(19)15-11(2)6-5-9-17-15/h7-8,10-11,15,17H,4-6,9H2,1-3H3.
What are the key properties of 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole?
1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole has a molecular weight of 273.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole is sourced from PubChem (CID 107070534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).