3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

C19H21ClN2O2 — CID 21188655

IUPAC3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(COc3ccc(Cl)cc3)n(CCCO)c2cc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-10-17-18(11-14(13)2)22(8-3-9-23)19(21-17)12-24-16-6-4-15(20)5-7-16/h4-7,10-11,23H,3,8-9,12H2,1-2H3
InChIKeyVVPFUGAGUDODCX-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.27
Rot. Bonds6

About 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (PubChem CID 21188655) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
PubChem CID21188655
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(COc3ccc(Cl)cc3)n(CCCO)c2cc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-10-17-18(11-14(13)2)22(8-3-9-23)19(21-17)12-24-16-6-4-15(20)5-7-16/h4-7,10-11,23H,3,8-9,12H2,1-2H3
InChIKeyVVPFUGAGUDODCX-UHFFFAOYSA-N
XLogP4.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromopropyl)-2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazole
CID 21188832
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
3-[2-[(4-cyclohexylphenoxy)methyl]benzo[f]benzimidazol-3-yl]propan-1-ol
CID 19070854
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
1-[3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]-N,N-dimethylpiperidin-4-amine
CID 21188553

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (CID 21188655) is 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is Cc1cc2nc(COc3ccc(Cl)cc3)n(CCCO)c2cc1C.
What is the InChIKey of 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The InChIKey is VVPFUGAGUDODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-10-17-18(11-14(13)2)22(8-3-9-23)19(21-17)12-24-16-6-4-15(20)5-7-16/h4-7,10-11,23H,3,8-9,12H2,1-2H3.
What are the key properties of 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol has a molecular weight of 344.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 21188655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).