1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole

C19H21ClN2O — CID 54216210

IUPAC1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole
SMILESCc1cc(C)c2c(ncn2CCCCl)c1OCc1ccccc1
InChIInChI=1S/C19H21ClN2O/c1-14-11-15(2)19(23-12-16-7-4-3-5-8-16)17-18(14)22(13-21-17)10-6-9-20/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
InChIKeyPZJDCGVDPBFMFL-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.86
Rot. Bonds6

About 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole

1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole (PubChem CID 54216210) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole
PubChem CID54216210
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole
SMILESCc1cc(C)c2c(ncn2CCCCl)c1OCc1ccccc1
InChIInChI=1S/C19H21ClN2O/c1-14-11-15(2)19(23-12-16-7-4-3-5-8-16)17-18(14)22(13-21-17)10-6-9-20/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
InChIKeyPZJDCGVDPBFMFL-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropyl)-4-methyl-5-phenylimidazole
CID 10059954
3,4-dimethyl-N-[3-(6-phenylmethoxypurin-9-yl)propyl]aniline
CID 45281098
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677
3-[(2,3,5,6-tetramethylphenyl)methyl]imidazo[4,5-f][1,10]phenanthroline
CID 102223329
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole?
The IUPAC name of 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole (CID 54216210) is 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole.
What is the SMILES notation for 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole?
The canonical SMILES for 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole is Cc1cc(C)c2c(ncn2CCCCl)c1OCc1ccccc1.
What is the InChIKey of 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole?
The InChIKey is PZJDCGVDPBFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-11-15(2)19(23-12-16-7-4-3-5-8-16)17-18(14)22(13-21-17)10-6-9-20/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole?
1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole has a molecular weight of 328.84 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole is sourced from PubChem (CID 54216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).