2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline

C20H10Br2ClN3 — CID 15851206

IUPAC2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
SMILESClc1ccc(-c2nc3c(Br)cc(Br)cc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C20H10Br2ClN3/c21-12-9-14-18(15(22)10-12)25-19(11-5-7-13(23)8-6-11)26-17-4-2-1-3-16(17)24-20(14)26/h1-10H
InChIKeyLJBDIYKRGHSIIE-UHFFFAOYSA-N
MW487.58 g/mol
LogP6.88
Rot. Bonds1

About 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline

2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 15851206) has the molecular formula C20H10Br2ClN3 and a molecular weight of 487.58 g/mol. Its IUPAC name is 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
PubChem CID15851206
Molecular FormulaC20H10Br2ClN3
Molecular Weight487.58 g/mol
Exact Mass484.89
IUPAC Name2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
SMILESClc1ccc(-c2nc3c(Br)cc(Br)cc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C20H10Br2ClN3/c21-12-9-14-18(15(22)10-12)25-19(11-5-7-13(23)8-6-11)26-17-4-2-1-3-16(17)24-20(14)26/h1-10H
InChIKeyLJBDIYKRGHSIIE-UHFFFAOYSA-N
XLogP6.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
CID 132523151
18-chloro-11-(4-chlorophenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-one
CID 16957123
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730380
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
4-bromo-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 135379660
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2,4-dibromo-9-methylacridine
CID 46187619
11-bromo-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 90432258

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline (CID 15851206) is 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline is Clc1ccc(-c2nc3c(Br)cc(Br)cc3c3nc4ccccc4n23)cc1.
What is the InChIKey of 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is LJBDIYKRGHSIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2ClN3/c21-12-9-14-18(15(22)10-12)25-19(11-5-7-13(23)8-6-11)26-17-4-2-1-3-16(17)24-20(14)26/h1-10H.
What are the key properties of 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 487.58 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 15851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).