7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole

C15H16Cl2N4 — CID 79234541

IUPAC7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H16Cl2N4/c1-9-11(10(2)20(3)19-9)8-21-14(7-16)18-13-6-4-5-12(17)15(13)21/h4-6H,7-8H2,1-3H3
InChIKeyMOPPZNAWSSLXFS-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.83
Rot. Bonds3

About 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole

7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole (PubChem CID 79234541) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
PubChem CID79234541
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H16Cl2N4/c1-9-11(10(2)20(3)19-9)8-21-14(7-16)18-13-6-4-5-12(17)15(13)21/h4-6H,7-8H2,1-3H3
InChIKeyMOPPZNAWSSLXFS-UHFFFAOYSA-N
XLogP3.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79238244
4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79238246
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788
4-[2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326545
7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
CID 107164720
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827569
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole (CID 79234541) is 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole is Cc1nn(C)c(C)c1Cn1c(CCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The InChIKey is MOPPZNAWSSLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-9-11(10(2)20(3)19-9)8-21-14(7-16)18-13-6-4-5-12(17)15(13)21/h4-6H,7-8H2,1-3H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole has a molecular weight of 323.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole is sourced from PubChem (CID 79234541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).