2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole

C21H15ClN2OS — CID 54031996

IUPAC2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(-c2cccc3oc(-c4ccccc4C4=NCCN4)cc23)s1
InChIInChI=1S/C21H15ClN2OS/c22-20-9-8-19(26-20)14-6-3-7-17-16(14)12-18(25-17)13-4-1-2-5-15(13)21-23-10-11-24-21/h1-9,12H,10-11H2,(H,23,24)
InChIKeyLGGKMIBMRBVOSB-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.83
Rot. Bonds3

About 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 54031996) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID54031996
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(-c2cccc3oc(-c4ccccc4C4=NCCN4)cc23)s1
InChIInChI=1S/C21H15ClN2OS/c22-20-9-8-19(26-20)14-6-3-7-17-16(14)12-18(25-17)13-4-1-2-5-15(13)21-23-10-11-24-21/h1-9,12H,10-11H2,(H,23,24)
InChIKeyLGGKMIBMRBVOSB-UHFFFAOYSA-N
XLogP5.83
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-nitrophenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 22083529
2-[2-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
CID 15887232
2-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740
2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
CID 10236778
2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole
CID 57447555
2-thianthren-2-yl-4,5-dihydro-1H-imidazole
CID 10779436
2-[2-[2-(5-chloro-2-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 59715415
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 119091936
2-[5-(3-methoxyphenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 18476286
4-(4,5-dihydro-1H-imidazol-2-yl)quinoline
CID 119086325

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (CID 54031996) is 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is Clc1ccc(-c2cccc3oc(-c4ccccc4C4=NCCN4)cc23)s1.
What is the InChIKey of 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LGGKMIBMRBVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c22-20-9-8-19(26-20)14-6-3-7-17-16(14)12-18(25-17)13-4-1-2-5-15(13)21-23-10-11-24-21/h1-9,12H,10-11H2,(H,23,24).
What are the key properties of 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 378.88 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-chlorothiophen-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54031996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).