2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole

C14H19ClN2O — CID 104763412

IUPAC2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCc1cccc2nc(CCl)n(CCOC(C)C)c12
InChIInChI=1S/C14H19ClN2O/c1-10(2)18-8-7-17-13(9-15)16-12-6-4-5-11(3)14(12)17/h4-6,10H,7-9H2,1-3H3
InChIKeyQHEYAFYRWSPOHL-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.51
Rot. Bonds5

About 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole

2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole (PubChem CID 104763412) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
PubChem CID104763412
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCc1cccc2nc(CCl)n(CCOC(C)C)c12
InChIInChI=1S/C14H19ClN2O/c1-10(2)18-8-7-17-13(9-15)16-12-6-4-5-11(3)14(12)17/h4-6,10H,7-9H2,1-3H3
InChIKeyQHEYAFYRWSPOHL-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.51
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

2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
2-[7-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104763092
2-(chloromethyl)-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005117
2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113334051
2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763416
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]benzonitrile
CID 115553385
N-[2-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 115553019
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole (CID 104763412) is 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole is Cc1cccc2nc(CCl)n(CCOC(C)C)c12.
What is the InChIKey of 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole?
The InChIKey is QHEYAFYRWSPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(2)18-8-7-17-13(9-15)16-12-6-4-5-11(3)14(12)17/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole?
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole has a molecular weight of 266.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 104763412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).