N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C16H17N3 — CID 10106205

IUPACN-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(NC2=NCCN2)cccc1-c1ccccc1
InChIInChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyMKDJCTAYFLKGEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.03
Rot. Bonds2

About N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10106205) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10106205
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(NC2=NCCN2)cccc1-c1ccccc1
InChIInChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyMKDJCTAYFLKGEM-UHFFFAOYSA-N
XLogP3.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 10106205) is N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1c(NC2=NCCN2)cccc1-c1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MKDJCTAYFLKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-14(13-6-3-2-4-7-13)8-5-9-15(12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10106205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).