N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide

C23H17Cl2N5O2 — CID 154687110

IUPACN-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
SMILESO=C(Nc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl2N5O2/c24-18-10-9-17(12-19(18)25)28-23(32)27-16-8-4-7-15(11-16)20-13-26-22(29-20)30-21(31)14-5-2-1-3-6-14/h1-13H,(H2,27,28,32)(H2,26,29,30,31)
InChIKeyZOQVDISORAWHGQ-UHFFFAOYSA-N
MW466.33 g/mol
LogP6.28
Rot. Bonds5

About N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide

N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide (PubChem CID 154687110) has the molecular formula C23H17Cl2N5O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
PubChem CID154687110
Molecular FormulaC23H17Cl2N5O2
Molecular Weight466.33 g/mol
Exact Mass465.08
IUPAC NameN-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
SMILESO=C(Nc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl2N5O2/c24-18-10-9-17(12-19(18)25)28-23(32)27-16-8-4-7-15(11-16)20-13-26-22(29-20)30-21(31)14-5-2-1-3-6-14/h1-13H,(H2,27,28,32)(H2,26,29,30,31)
InChIKeyZOQVDISORAWHGQ-UHFFFAOYSA-N
XLogP6.28
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.33
LogP ≤ 56.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
CID 159322428
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide (CID 154687110) is N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide is O=C(Nc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide?
The InChIKey is ZOQVDISORAWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O2/c24-18-10-9-17(12-19(18)25)28-23(32)27-16-8-4-7-15(11-16)20-13-26-22(29-20)30-21(31)14-5-2-1-3-6-14/h1-13H,(H2,27,28,32)(H2,26,29,30,31).
What are the key properties of N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide?
N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide has a molecular weight of 466.33 g/mol, XLogP of 6.28, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 154687110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).