1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride

C12H16ClN3 — CID 170894357

IUPAC1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cnc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9(13)7-11-8-14-12(15-11)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3,(H,14,15);1H
InChIKeyNVINPQJCDWUXRX-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride

1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 170894357) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
PubChem CID170894357
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cnc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9(13)7-11-8-14-12(15-11)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3,(H,14,15);1H
InChIKeyNVINPQJCDWUXRX-UHFFFAOYSA-N
XLogP2.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
CID 84766825
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
2-phenyl-1H-imidazol-5-amine
CID 14960439
3-(5-propyl-1H-imidazol-2-yl)aniline
CID 116877695
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2-phenyl-1H-imidazol-5-amine;ruthenium
CID 157104947

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride (CID 170894357) is 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride is CC(N)Cc1cnc(-c2ccccc2)[nH]1.Cl.
What is the InChIKey of 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is NVINPQJCDWUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-9(13)7-11-8-14-12(15-11)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3,(H,14,15);1H.
What are the key properties of 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride?
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).