5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole

C21H21ClN2O2 — CID 56682305

IUPAC5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole
SMILESCOc1c(C(C)n2cnc3cc(Cl)ccc32)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C21H21ClN2O2/c1-13(24-12-23-17-11-14(22)5-7-18(17)24)15-6-8-19-16(20(15)25-4)9-10-21(2,3)26-19/h5-13H,1-4H3
InChIKeyGNHOSKMDPUEGKC-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.49
Rot. Bonds3

About 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole

5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole (PubChem CID 56682305) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole
PubChem CID56682305
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole
SMILESCOc1c(C(C)n2cnc3cc(Cl)ccc32)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C21H21ClN2O2/c1-13(24-12-23-17-11-14(22)5-7-18(17)24)15-6-8-19-16(20(15)25-4)9-10-21(2,3)26-19/h5-13H,1-4H3
InChIKeyGNHOSKMDPUEGKC-UHFFFAOYSA-N
XLogP5.49
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole?
The IUPAC name of 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole (CID 56682305) is 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole?
The canonical SMILES for 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole is COc1c(C(C)n2cnc3cc(Cl)ccc32)ccc2c1C=CC(C)(C)O2.
What is the InChIKey of 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole?
The InChIKey is GNHOSKMDPUEGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13(24-12-23-17-11-14(22)5-7-18(17)24)15-6-8-19-16(20(15)25-4)9-10-21(2,3)26-19/h5-13H,1-4H3.
What are the key properties of 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole?
5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole has a molecular weight of 368.86 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]benzimidazole is sourced from PubChem (CID 56682305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).