1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C15H16Cl2N2 — CID 116626515

IUPAC1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1cc(Cl)ccc1Cl)CCCC2
InChIInChI=1S/C15H16Cl2N2/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-8-12(16)6-7-13(11)17/h6-8H,2-5,9H2,1H3
InChIKeyACCWEOBWLKOKSK-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.43
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626515) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626515
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1cc(Cl)ccc1Cl)CCCC2
InChIInChI=1S/C15H16Cl2N2/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-8-12(16)6-7-13(11)17/h6-8H,2-5,9H2,1H3
InChIKeyACCWEOBWLKOKSK-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626515) is 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1Cc1cc(Cl)ccc1Cl)CCCC2.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is ACCWEOBWLKOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-8-12(16)6-7-13(11)17/h6-8H,2-5,9H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 295.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).