[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone

C17H27N3O — CID 126832130

IUPAC[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
SMILESCC1CC(C(=O)N2CCC(c3ncc[nH]3)C2)CC(C)(C)C1
InChIInChI=1S/C17H27N3O/c1-12-8-14(10-17(2,3)9-12)16(21)20-7-4-13(11-20)15-18-5-6-19-15/h5-6,12-14H,4,7-11H2,1-3H3,(H,18,19)
InChIKeyQKYVXXDNMPINPC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds2

About [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone

[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone (PubChem CID 126832130) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
PubChem CID126832130
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
SMILESCC1CC(C(=O)N2CCC(c3ncc[nH]3)C2)CC(C)(C)C1
InChIInChI=1S/C17H27N3O/c1-12-8-14(10-17(2,3)9-12)16(21)20-7-4-13(11-20)15-18-5-6-19-15/h5-6,12-14H,4,7-11H2,1-3H3,(H,18,19)
InChIKeyQKYVXXDNMPINPC-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 84587791
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
CID 77094981
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
N-(1H-imidazol-2-ylmethyl)-N-methyl-N'-(3,3,5,5-tetramethylcyclohexyl)urea
CID 121497010
rac-(1R,2S,3r,4R,5S)-N-[2-(1H-imidazol-2-yl)ethyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 121513116
(3S)-N-[3-(1H-imidazol-2-yl)propyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
CID 124756904
1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824246
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 126835443

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone (CID 126832130) is [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone is CC1CC(C(=O)N2CCC(c3ncc[nH]3)C2)CC(C)(C)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone?
The InChIKey is QKYVXXDNMPINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-14(10-17(2,3)9-12)16(21)20-7-4-13(11-20)15-18-5-6-19-15/h5-6,12-14H,4,7-11H2,1-3H3,(H,18,19).
What are the key properties of [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone?
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone is sourced from PubChem (CID 126832130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).