1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole

C15H15ClN4S — CID 2822144

IUPAC1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole
SMILESCn1ccnc1SCc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4S/c1-19-8-6-18-15(19)21-11-14-17-7-9-20(14)10-12-2-4-13(16)5-3-12/h2-9H,10-11H2,1H3
InChIKeyTVOUKZRXMHAVLD-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.61
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole

1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole (PubChem CID 2822144) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole
PubChem CID2822144
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole
SMILESCn1ccnc1SCc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4S/c1-19-8-6-18-15(19)21-11-14-17-7-9-20(14)10-12-2-4-13(16)5-3-12/h2-9H,10-11H2,1H3
InChIKeyTVOUKZRXMHAVLD-UHFFFAOYSA-N
XLogP3.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole (CID 2822144) is 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole is Cn1ccnc1SCc1nccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole?
The InChIKey is TVOUKZRXMHAVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-19-8-6-18-15(19)21-11-14-17-7-9-20(14)10-12-2-4-13(16)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole?
1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole has a molecular weight of 318.83 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazole is sourced from PubChem (CID 2822144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).