5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole

C14H11Cl2N3 — CID 150558660

IUPAC5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
SMILESClc1cc(Cl)cc(-c2cnc(Cc3cc[nH]c3)[nH]2)c1
InChIInChI=1S/C14H11Cl2N3/c15-11-4-10(5-12(16)6-11)13-8-18-14(19-13)3-9-1-2-17-7-9/h1-2,4-8,17H,3H2,(H,18,19)
InChIKeyIJJMHVORJREQTN-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.30
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole

5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole (PubChem CID 150558660) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
PubChem CID150558660
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
SMILESClc1cc(Cl)cc(-c2cnc(Cc3cc[nH]c3)[nH]2)c1
InChIInChI=1S/C14H11Cl2N3/c15-11-4-10(5-12(16)6-11)13-8-18-14(19-13)3-9-1-2-17-7-9/h1-2,4-8,17H,3H2,(H,18,19)
InChIKeyIJJMHVORJREQTN-UHFFFAOYSA-N
XLogP4.30
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole (CID 150558660) is 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole is Clc1cc(Cl)cc(-c2cnc(Cc3cc[nH]c3)[nH]2)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole?
The InChIKey is IJJMHVORJREQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-11-4-10(5-12(16)6-11)13-8-18-14(19-13)3-9-1-2-17-7-9/h1-2,4-8,17H,3H2,(H,18,19).
What are the key properties of 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole?
5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole has a molecular weight of 292.17 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 150558660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).