2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole

C14H23N3 — CID 155911076

IUPAC2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
SMILESCN1CCC(Cn2ccnc2C2CCCC2)C1
InChIInChI=1S/C14H23N3/c1-16-8-6-12(10-16)11-17-9-7-15-14(17)13-4-2-3-5-13/h7,9,12-13H,2-6,8,10-11H2,1H3
InChIKeyRCTMFQSHZGWBIB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole

2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole (PubChem CID 155911076) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole.

Molecular Properties

Compound Name2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
PubChem CID155911076
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
SMILESCN1CCC(Cn2ccnc2C2CCCC2)C1
InChIInChI=1S/C14H23N3/c1-16-8-6-12(10-16)11-17-9-7-15-14(17)13-4-2-3-5-13/h7,9,12-13H,2-6,8,10-11H2,1H3
InChIKeyRCTMFQSHZGWBIB-UHFFFAOYSA-N
XLogP2.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one
CID 146038204
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
N-methyl-2-[2-(1-methylpiperidin-4-yl)imidazol-1-yl]ethanamine
CID 135170249
2-cyclopentyl-1-methylimidazole
CID 83382106
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
CID 75485592
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole?
The IUPAC name of 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole (CID 155911076) is 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole.
What is the SMILES notation for 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole?
The canonical SMILES for 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole is CN1CCC(Cn2ccnc2C2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole?
The InChIKey is RCTMFQSHZGWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-8-6-12(10-16)11-17-9-7-15-14(17)13-4-2-3-5-13/h7,9,12-13H,2-6,8,10-11H2,1H3.
What are the key properties of 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole?
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole has a molecular weight of 233.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole is sourced from PubChem (CID 155911076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).