1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole

C21H22N4O — CID 11484788

IUPAC1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OC(C)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H22N4O/c1-15(2)26-16(3)17-7-8-21-20(11-17)23-14-25(21)19-6-4-5-18(12-19)24-10-9-22-13-24/h4-16H,1-3H3
InChIKeyFWAPLOYSJQTYDQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.70
Rot. Bonds5

About 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole

1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole (PubChem CID 11484788) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
PubChem CID11484788
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OC(C)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H22N4O/c1-15(2)26-16(3)17-7-8-21-20(11-17)23-14-25(21)19-6-4-5-18(12-19)24-10-9-22-13-24/h4-16H,1-3H3
InChIKeyFWAPLOYSJQTYDQ-UHFFFAOYSA-N
XLogP4.70
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole?
The IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole (CID 11484788) is 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole?
The canonical SMILES for 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole is CC(C)OC(C)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole?
The InChIKey is FWAPLOYSJQTYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)26-16(3)17-7-8-21-20(11-17)23-14-25(21)19-6-4-5-18(12-19)24-10-9-22-13-24/h4-16H,1-3H3.
What are the key properties of 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole?
1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole has a molecular weight of 346.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 11484788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).