2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole

C14H19ClN2O — CID 82335377

IUPAC2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1ccc2c(c1)nc(CCl)n2C(C)C
InChIInChI=1S/C14H19ClN2O/c1-9(2)17-13-6-5-11(18-10(3)4)7-12(13)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3
InChIKeyMDGYELBMKYGLEY-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.14
Rot. Bonds4

About 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole

2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole (PubChem CID 82335377) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
PubChem CID82335377
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1ccc2c(c1)nc(CCl)n2C(C)C
InChIInChI=1S/C14H19ClN2O/c1-9(2)17-13-6-5-11(18-10(3)4)7-12(13)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3
InChIKeyMDGYELBMKYGLEY-UHFFFAOYSA-N
XLogP4.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.14
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)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389177
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
methyl 2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 54960515
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
2,3-dichloro-6-propan-2-yloxyquinoxaline
CID 142745885

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole (CID 82335377) is 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole is CC(C)Oc1ccc2c(c1)nc(CCl)n2C(C)C.
What is the InChIKey of 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole?
The InChIKey is MDGYELBMKYGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(2)17-13-6-5-11(18-10(3)4)7-12(13)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole?
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole has a molecular weight of 266.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole is sourced from PubChem (CID 82335377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).