2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole

C14H19ClN2O2 — CID 113393137

IUPAC2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole
SMILESCCC(COC)n1c(CCl)nc2c(OC)cccc21
InChIInChI=1S/C14H19ClN2O2/c1-4-10(9-18-2)17-11-6-5-7-12(19-3)14(11)16-13(17)8-15/h5-7,10H,4,8-9H2,1-3H3
InChIKeyMZXDHIOPBYXKMZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.38
Rot. Bonds6

About 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole

2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole (PubChem CID 113393137) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole
PubChem CID113393137
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole
SMILESCCC(COC)n1c(CCl)nc2c(OC)cccc21
InChIInChI=1S/C14H19ClN2O2/c1-4-10(9-18-2)17-11-6-5-7-12(19-3)14(11)16-13(17)8-15/h5-7,10H,4,8-9H2,1-3H3
InChIKeyMZXDHIOPBYXKMZ-UHFFFAOYSA-N
XLogP3.38
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-fluoro-1-pentan-3-ylbenzimidazole
CID 60789840
2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
2-(chloromethyl)-7-fluoro-1-(1-methoxybutan-2-yl)benzimidazole
CID 112740747
2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293024
2-(chloromethyl)-4-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazole
CID 114041864
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
2-(chloromethyl)-4-methoxy-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484384
2-(chloromethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole-4-carbonitrile
CID 104719787
2-(1-chloroethyl)-1-(1-methoxybutan-2-yl)benzimidazole-4-carbonitrile
CID 104719749
2-amino-1-(1-methoxybutan-2-yl)benzimidazole-4-carbonitrile
CID 104719013
4-chloro-2-(chloromethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838350

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole (CID 113393137) is 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole is CCC(COC)n1c(CCl)nc2c(OC)cccc21.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole?
The InChIKey is MZXDHIOPBYXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-10(9-18-2)17-11-6-5-7-12(19-3)14(11)16-13(17)8-15/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole?
2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole has a molecular weight of 282.77 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole is sourced from PubChem (CID 113393137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).