1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

C17H29N3 — CID 114719456

IUPAC1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC1CCC(Cn2cncc2C2(C)CCNC2)CC1
InChIInChI=1S/C17H29N3/c1-3-14-4-6-15(7-5-14)11-20-13-19-10-16(20)17(2)8-9-18-12-17/h10,13-15,18H,3-9,11-12H2,1-2H3
InChIKeyOMDFRIBAJJAVPG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds4

About 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole

1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114719456) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114719456
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC1CCC(Cn2cncc2C2(C)CCNC2)CC1
InChIInChI=1S/C17H29N3/c1-3-14-4-6-15(7-5-14)11-20-13-19-10-16(20)17(2)8-9-18-12-17/h10,13-15,18H,3-9,11-12H2,1-2H3
InChIKeyOMDFRIBAJJAVPG-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114719456) is 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is CCC1CCC(Cn2cncc2C2(C)CCNC2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is OMDFRIBAJJAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-14-4-6-15(7-5-14)11-20-13-19-10-16(20)17(2)8-9-18-12-17/h10,13-15,18H,3-9,11-12H2,1-2H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 275.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114719456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).