1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea

C17H14N6O — CID 135329895

IUPAC1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2cccc(-c3cnc(N)[nH]3)c2)c1
InChIInChI=1S/C17H14N6O/c18-9-11-3-1-5-13(7-11)21-17(24)22-14-6-2-4-12(8-14)15-10-20-16(19)23-15/h1-8,10H,(H3,19,20,23)(H2,21,22,24)
InChIKeyTWKZJQPCNSUPRX-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.17
Rot. Bonds3

About 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea (PubChem CID 135329895) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
PubChem CID135329895
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2cccc(-c3cnc(N)[nH]3)c2)c1
InChIInChI=1S/C17H14N6O/c18-9-11-3-1-5-13(7-11)21-17(24)22-14-6-2-4-12(8-14)15-10-20-16(19)23-15/h1-8,10H,(H3,19,20,23)(H2,21,22,24)
InChIKeyTWKZJQPCNSUPRX-UHFFFAOYSA-N
XLogP3.17
TPSA119.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(1,3-benzodioxol-5-yl)urea
CID 135329823
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
CID 135329900
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-hexylurea
CID 135329820
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
CID 83170863
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(2-amino-4-bromophenyl)-3-(3-cyanophenyl)urea
CID 43132937
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
CID 68896503
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea (CID 135329895) is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)Nc2cccc(-c3cnc(N)[nH]3)c2)c1.
What is the InChIKey of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea?
The InChIKey is TWKZJQPCNSUPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-9-11-3-1-5-13(7-11)21-17(24)22-14-6-2-4-12(8-14)15-10-20-16(19)23-15/h1-8,10H,(H3,19,20,23)(H2,21,22,24).
What are the key properties of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea?
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea has a molecular weight of 318.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 135329895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).