1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole

C14H12Cl2N4 — CID 2766537

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole
SMILESCc1nc(-c2ccn[nH]2)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-9-18-14(13-5-6-17-19-13)8-20(9)7-10-11(15)3-2-4-12(10)16/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyDQCJEKGHQLLZPR-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.94
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole

1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole (PubChem CID 2766537) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole
PubChem CID2766537
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole
SMILESCc1nc(-c2ccn[nH]2)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-9-18-14(13-5-6-17-19-13)8-20(9)7-10-11(15)3-2-4-12(10)16/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyDQCJEKGHQLLZPR-UHFFFAOYSA-N
XLogP3.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole (CID 2766537) is 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole is Cc1nc(-c2ccn[nH]2)cn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole?
The InChIKey is DQCJEKGHQLLZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-9-18-14(13-5-6-17-19-13)8-20(9)7-10-11(15)3-2-4-12(10)16/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole?
1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole has a molecular weight of 307.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole is sourced from PubChem (CID 2766537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).