N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine

C15H13N3S — CID 22024188

IUPACN-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)sc1ccc(NC3=NCCN3)cc12
InChIInChI=1S/C15H13N3S/c1-2-4-13-11(3-1)12-9-10(5-6-14(12)19-13)18-15-16-7-8-17-15/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyJTJDTFYDXWNRJS-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.43
Rot. Bonds1

About N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine

N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 22024188) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID22024188
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)sc1ccc(NC3=NCCN3)cc12
InChIInChI=1S/C15H13N3S/c1-2-4-13-11(3-1)12-9-10(5-6-14(12)19-13)18-15-16-7-8-17-15/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyJTJDTFYDXWNRJS-UHFFFAOYSA-N
XLogP3.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-methyldibenzothiophen-2-amine
CID 138617905
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
CID 13189706
2,6-bis(4,5-dihydro-1H-imidazol-2-ylamino)-10H-acridin-9-one
CID 102532143
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
N-dibenzothiophen-3-ylpyridin-4-amine
CID 137471578
N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine (CID 22024188) is N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine is c1ccc2c(c1)sc1ccc(NC3=NCCN3)cc12.
What is the InChIKey of N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JTJDTFYDXWNRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-4-13-11(3-1)12-9-10(5-6-14(12)19-13)18-15-16-7-8-17-15/h1-6,9H,7-8H2,(H2,16,17,18).
What are the key properties of N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine?
N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 22024188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).