(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine

C11H13N3 — CID 43649240

IUPAC(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
SMILESCc1[nH]c(CN)nc1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-8-11(14-10(7-12)13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyPBMDUKSVUFUTDP-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.84
Rot. Bonds2

About (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine

(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine (PubChem CID 43649240) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
PubChem CID43649240
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
SMILESCc1[nH]c(CN)nc1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-8-11(14-10(7-12)13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyPBMDUKSVUFUTDP-UHFFFAOYSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
CID 82474486
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
[2-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386817
2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
CID 141255877
[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386831
[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386822
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
[4-(5-bromothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 82488404

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine?
The IUPAC name of (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine (CID 43649240) is (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine is Cc1[nH]c(CN)nc1-c1ccccc1.
What is the InChIKey of (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine?
The InChIKey is PBMDUKSVUFUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-11(14-10(7-12)13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine?
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 43649240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).