1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea

C16H12Cl2FN5O — CID 135329848

IUPAC1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
SMILESNc1ncc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)[nH]1
InChIInChI=1S/C16H12Cl2FN5O/c17-10-3-2-9(6-11(10)18)22-16(25)24-13-5-8(1-4-12(13)19)14-7-21-15(20)23-14/h1-7H,(H3,20,21,23)(H2,22,24,25)
InChIKeyAGPHARPOUKAEOG-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.75
Rot. Bonds3

About 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea

1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 135329848) has the molecular formula C16H12Cl2FN5O and a molecular weight of 380.21 g/mol. Its IUPAC name is 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
PubChem CID135329848
Molecular FormulaC16H12Cl2FN5O
Molecular Weight380.21 g/mol
Exact Mass379.04
IUPAC Name1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
SMILESNc1ncc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)[nH]1
InChIInChI=1S/C16H12Cl2FN5O/c17-10-3-2-9(6-11(10)18)22-16(25)24-13-5-8(1-4-12(13)19)14-7-21-15(20)23-14/h1-7H,(H3,20,21,23)(H2,22,24,25)
InChIKeyAGPHARPOUKAEOG-UHFFFAOYSA-N
XLogP4.75
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
CID 162650698
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
CID 65431622
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(1,3-benzodioxol-5-yl)urea
CID 135329823
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
CID 154687110

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea (CID 135329848) is 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea is Nc1ncc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)[nH]1.
What is the InChIKey of 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is AGPHARPOUKAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O/c17-10-3-2-9(6-11(10)18)22-16(25)24-13-5-8(1-4-12(13)19)14-7-21-15(20)23-14/h1-7H,(H3,20,21,23)(H2,22,24,25).
What are the key properties of 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea?
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 380.21 g/mol, XLogP of 4.75, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 135329848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).