6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole

C18H19ClN2O — CID 46310633

IUPAC6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
SMILESCc1cccc(OCc2nc3ccc(Cl)cc3n2C(C)C)c1
InChIInChI=1S/C18H19ClN2O/c1-12(2)21-17-10-14(19)7-8-16(17)20-18(21)11-22-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3
InChIKeyNUFQGKLWMZZKNZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.16
Rot. Bonds4

About 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole

6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole (PubChem CID 46310633) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
PubChem CID46310633
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
SMILESCc1cccc(OCc2nc3ccc(Cl)cc3n2C(C)C)c1
InChIInChI=1S/C18H19ClN2O/c1-12(2)21-17-10-14(19)7-8-16(17)20-18(21)11-22-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3
InChIKeyNUFQGKLWMZZKNZ-UHFFFAOYSA-N
XLogP5.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
3-[5-chloro-2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308883
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole (CID 46310633) is 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole is Cc1cccc(OCc2nc3ccc(Cl)cc3n2C(C)C)c1.
What is the InChIKey of 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole?
The InChIKey is NUFQGKLWMZZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12(2)21-17-10-14(19)7-8-16(17)20-18(21)11-22-15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole?
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole has a molecular weight of 314.82 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 46310633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).