N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride

C21H23Cl2N5O — CID 158284704

IUPACN-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
SMILESCNCc1cnc(-c2ccccc2)[nH]1.Cl.Cl.O=Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H13N3.C10H8N2O.2ClH/c1-12-7-10-8-13-11(14-10)9-5-3-2-4-6-9;13-7-9-6-11-10(12-9)8-4-2-1-3-5-8;;/h2-6,8,12H,7H2,1H3,(H,13,14);1-7H,(H,11,12);2*1H
InChIKeyDXAFRGGEVZMJOE-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.53
Rot. Bonds5

About N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride

N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride (PubChem CID 158284704) has the molecular formula C21H23Cl2N5O and a molecular weight of 432.36 g/mol. Its IUPAC name is N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
PubChem CID158284704
Molecular FormulaC21H23Cl2N5O
Molecular Weight432.36 g/mol
Exact Mass431.13
IUPAC NameN-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
SMILESCNCc1cnc(-c2ccccc2)[nH]1.Cl.Cl.O=Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H13N3.C10H8N2O.2ClH/c1-12-7-10-8-13-11(14-10)9-5-3-2-4-6-9;13-7-9-6-11-10(12-9)8-4-2-1-3-5-8;;/h2-6,8,12H,7H2,1H3,(H,13,14);1-7H,(H,11,12);2*1H
InChIKeyDXAFRGGEVZMJOE-UHFFFAOYSA-N
XLogP4.53
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108684
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine
CID 106849874
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
CID 82288230
1-[2-(2,6-dimethyl-4-pyridinyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 107504565
5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
CID 24754446
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
CID 170894357
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
CID 142648580
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
CID 135445586

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride?
The IUPAC name of N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride (CID 158284704) is N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride.
What is the SMILES notation for N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride?
The canonical SMILES for N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride is CNCc1cnc(-c2ccccc2)[nH]1.Cl.Cl.O=Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride?
The InChIKey is DXAFRGGEVZMJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C10H8N2O.2ClH/c1-12-7-10-8-13-11(14-10)9-5-3-2-4-6-9;13-7-9-6-11-10(12-9)8-4-2-1-3-5-8;;/h2-6,8,12H,7H2,1H3,(H,13,14);1-7H,(H,11,12);2*1H.
What are the key properties of N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride?
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride has a molecular weight of 432.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride is sourced from PubChem (CID 158284704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).