4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole

C11H17ClN2 — CID 22412123

IUPAC4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole
SMILESCc1[nH]c(C2CC2)nc1C(Cl)C(C)C
InChIInChI=1S/C11H17ClN2/c1-6(2)9(12)10-7(3)13-11(14-10)8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyNDNNTUVJGQHVBX-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.53
Rot. Bonds3

About 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole

4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole (PubChem CID 22412123) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole
PubChem CID22412123
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole
SMILESCc1[nH]c(C2CC2)nc1C(Cl)C(C)C
InChIInChI=1S/C11H17ClN2/c1-6(2)9(12)10-7(3)13-11(14-10)8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyNDNNTUVJGQHVBX-UHFFFAOYSA-N
XLogP3.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole?
The IUPAC name of 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole (CID 22412123) is 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole?
The canonical SMILES for 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole is Cc1[nH]c(C2CC2)nc1C(Cl)C(C)C.
What is the InChIKey of 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole?
The InChIKey is NDNNTUVJGQHVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-6(2)9(12)10-7(3)13-11(14-10)8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole?
4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole has a molecular weight of 212.72 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole is sourced from PubChem (CID 22412123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).