N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C17H20N4 — CID 44550829

IUPACN-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H20N4/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17-19-11-12-20-17/h3-10H,1-2,11-12,18H2,(H2,19,20,21)
InChIKeyDKAZZLZQLOZSIT-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.43
Rot. Bonds4

About N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44550829) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44550829
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H20N4/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17-19-11-12-20-17/h3-10H,1-2,11-12,18H2,(H2,19,20,21)
InChIKeyDKAZZLZQLOZSIT-UHFFFAOYSA-N
XLogP2.43
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 67730497
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
CID 18469982
N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 70878856
1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
CID 18470005
1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
CID 18469991
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
CID 70450555
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131012420
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 44550829) is N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is Nc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DKAZZLZQLOZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17-19-11-12-20-17/h3-10H,1-2,11-12,18H2,(H2,19,20,21).
What are the key properties of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 44550829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).