N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine

C18H17N3 — CID 43722508

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(Nc1ccc(-c3cnc[nH]3)cc1)C2
InChIInChI=1S/C18H17N3/c1-2-4-15-10-17(9-14(15)3-1)21-16-7-5-13(6-8-16)18-11-19-12-20-18/h1-8,11-12,17,21H,9-10H2,(H,19,20)
InChIKeySYZDOWHTNUZGCL-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine

N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 43722508) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID43722508
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(Nc1ccc(-c3cnc[nH]3)cc1)C2
InChIInChI=1S/C18H17N3/c1-2-4-15-10-17(9-14(15)3-1)21-16-7-5-13(6-8-16)18-11-19-12-20-18/h1-8,11-12,17,21H,9-10H2,(H,19,20)
InChIKeySYZDOWHTNUZGCL-UHFFFAOYSA-N
XLogP3.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
N-(4-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 15637824
N-[4-(1H-imidazol-5-yl)phenyl]-5,5-dimethylthian-3-amine
CID 79957974
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
CID 43786474
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
CID 43722465

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine (CID 43722508) is N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(Nc1ccc(-c3cnc[nH]3)cc1)C2.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is SYZDOWHTNUZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-4-15-10-17(9-14(15)3-1)21-16-7-5-13(6-8-16)18-11-19-12-20-18/h1-8,11-12,17,21H,9-10H2,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43722508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).