4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole

C18H16Cl4N2 — CID 161460001

IUPAC4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole
SMILESCC(CCc1cc(Cl)cc(Cl)c1)Cc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H16Cl4N2/c1-10(2-3-11-5-12(19)7-13(20)6-11)4-17-23-16-9-14(21)8-15(22)18(16)24-17/h5-10H,2-4H2,1H3,(H,23,24)
InChIKeyWBRCAJDVTBUKQR-UHFFFAOYSA-N
MW402.15 g/mol
LogP6.99
Rot. Bonds5

About 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole

4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole (PubChem CID 161460001) has the molecular formula C18H16Cl4N2 and a molecular weight of 402.15 g/mol. Its IUPAC name is 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole
PubChem CID161460001
Molecular FormulaC18H16Cl4N2
Molecular Weight402.15 g/mol
Exact Mass400.01
IUPAC Name4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole
SMILESCC(CCc1cc(Cl)cc(Cl)c1)Cc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H16Cl4N2/c1-10(2-3-11-5-12(19)7-13(20)6-11)4-17-23-16-9-14(21)8-15(22)18(16)24-17/h5-10H,2-4H2,1H3,(H,23,24)
InChIKeyWBRCAJDVTBUKQR-UHFFFAOYSA-N
XLogP6.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.15
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4-(4,6-dichloro-1H-benzimidazol-2-yl)butanoic acid;hydrochloride
CID 45381090
4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
CID 162478968
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-3-methylpentan-1-amine
CID 82947286
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
1-chloro-3-methyl-5-(3-methylpentyl)benzene
CID 170769556
1,3-dichloro-5-(4-methylpentyl)benzene
CID 20672445
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
3-(4-chloro-6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629228
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
CID 81463285
2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole?
The IUPAC name of 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole (CID 161460001) is 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole?
The canonical SMILES for 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole is CC(CCc1cc(Cl)cc(Cl)c1)Cc1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole?
The InChIKey is WBRCAJDVTBUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl4N2/c1-10(2-3-11-5-12(19)7-13(20)6-11)4-17-23-16-9-14(21)8-15(22)18(16)24-17/h5-10H,2-4H2,1H3,(H,23,24).
What are the key properties of 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole?
4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole has a molecular weight of 402.15 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole is sourced from PubChem (CID 161460001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).