5-chloro-2-cyclopropyl-1-propan-2-ylimidazole

C9H13ClN2 — CID 117259506

IUPAC5-chloro-2-cyclopropyl-1-propan-2-ylimidazole
SMILESCC(C)n1c(Cl)cnc1C1CC1
InChIInChI=1S/C9H13ClN2/c1-6(2)12-8(10)5-11-9(12)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyYNARUGFEDPCACD-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.99
Rot. Bonds2

About 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole

5-chloro-2-cyclopropyl-1-propan-2-ylimidazole (PubChem CID 117259506) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-1-propan-2-ylimidazole
PubChem CID117259506
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-chloro-2-cyclopropyl-1-propan-2-ylimidazole
SMILESCC(C)n1c(Cl)cnc1C1CC1
InChIInChI=1S/C9H13ClN2/c1-6(2)12-8(10)5-11-9(12)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyYNARUGFEDPCACD-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
CID 117260181
5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole;dihydrochloride
CID 146065252
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
CID 117259171
2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole
CID 117260017
3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163606063
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
CID 114665383
1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole
CID 169322221
2-bromo-5-cyclopentyl-1-propan-2-ylimidazole
CID 117260187
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83865216
4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 114239529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole?
The IUPAC name of 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole (CID 117259506) is 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole.
What is the SMILES notation for 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole?
The canonical SMILES for 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole is CC(C)n1c(Cl)cnc1C1CC1.
What is the InChIKey of 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole?
The InChIKey is YNARUGFEDPCACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)12-8(10)5-11-9(12)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole?
5-chloro-2-cyclopropyl-1-propan-2-ylimidazole has a molecular weight of 184.67 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).