2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine

C13H18N4 — CID 55012235

IUPAC2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cccc(C(C)C)c2)c(N)[nH]1
InChIInChI=1S/C13H18N4/c1-8(2)10-5-4-6-11(7-10)17-13-12(14)15-9(3)16-13/h4-8,17H,14H2,1-3H3,(H,15,16)
InChIKeyPYFBWKGOTCSWOX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine (PubChem CID 55012235) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
PubChem CID55012235
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cccc(C(C)C)c2)c(N)[nH]1
InChIInChI=1S/C13H18N4/c1-8(2)10-5-4-6-11(7-10)17-13-12(14)15-9(3)16-13/h4-8,17H,14H2,1-3H3,(H,15,16)
InChIKeyPYFBWKGOTCSWOX-UHFFFAOYSA-N
XLogP3.17
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 102754630
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
CID 114996935
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine (CID 55012235) is 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine is Cc1nc(Nc2cccc(C(C)C)c2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine?
The InChIKey is PYFBWKGOTCSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(2)10-5-4-6-11(7-10)17-13-12(14)15-9(3)16-13/h4-8,17H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55012235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).