N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine

C16H17N3 — CID 12503392

IUPACN-benzhydryl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)19-16-17-11-12-18-16/h1-10,15H,11-12H2,(H2,17,18,19)
InChIKeyUZQOTGNKCVYIFU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.32
Rot. Bonds3

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

N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12503392) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzhydryl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12503392
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-benzhydryl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(NC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)19-16-17-11-12-18-16/h1-10,15H,11-12H2,(H2,17,18,19)
InChIKeyUZQOTGNKCVYIFU-UHFFFAOYSA-N
XLogP2.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine (CID 12503392) is N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine is c1ccc(C(NC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UZQOTGNKCVYIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)19-16-17-11-12-18-16/h1-10,15H,11-12H2,(H2,17,18,19).
What are the key properties of N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine?
N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12503392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).