2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

C14H19ClN2 — CID 25063244

IUPAC2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cc(Cl)cc1C(C)C
InChIInChI=1S/C14H19ClN2/c1-9(2)13-8-12(15)6-11(10(13)3)7-14-16-4-5-17-14/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyWALOCPALHGJAIY-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.32
Rot. Bonds3

About 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 25063244) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID25063244
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cc(Cl)cc1C(C)C
InChIInChI=1S/C14H19ClN2/c1-9(2)13-8-12(15)6-11(10(13)3)7-14-16-4-5-17-14/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyWALOCPALHGJAIY-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 25063244) is 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1c(CC2=NCCN2)cc(Cl)cc1C(C)C.
What is the InChIKey of 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WALOCPALHGJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9(2)13-8-12(15)6-11(10(13)3)7-14-16-4-5-17-14/h6,8-9H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 250.77 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 25063244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).