1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one

C16H15ClN2O2 — CID 655131

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-18-13-7-3-4-8-14(13)19(16(18)20)10-11-21-15-9-5-2-6-12(15)17/h2-9H,10-11H2,1H3
InChIKeyRXMUIOVXCNQWOE-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one

1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one (PubChem CID 655131) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one
PubChem CID655131
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-18-13-7-3-4-8-14(13)19(16(18)20)10-11-21-15-9-5-2-6-12(15)17/h2-9H,10-11H2,1H3
InChIKeyRXMUIOVXCNQWOE-UHFFFAOYSA-N
XLogP3.07
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one (CID 655131) is 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one?
The InChIKey is RXMUIOVXCNQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-18-13-7-3-4-8-14(13)19(16(18)20)10-11-21-15-9-5-2-6-12(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one?
1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one has a molecular weight of 302.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 655131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).