2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine

C43H69N17 — CID 157300238

About 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine

2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine (PubChem CID 157300238) has the molecular formula C43H69N17 and a molecular weight of 824.14 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine.

Molecular Properties

• Compound Name: 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine
• PubChem CID: 157300238
• Molecular Formula: C43H69N17
• Molecular Weight: 824.14 g/mol
• Exact Mass: 823.59
• IUPAC Name: 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine
• SMILES: C1=NCCCN1.CC1=NCC(C)N1.CC1CN=C(c2ccccc2)N1.CC1CN=CN1.CCc1ncc(C)[nH]1.Cc1ncc[nH]1.[H]N=C(N)N.c1ccc(C2=NCCN2)cc1
• InChI: InChI=1S/C10H12N2.C9H10N2.C6H10N2.C5H10N2.C4H8N2.C4H6N2.C4H8N2.CH5N3/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-3-6-7-4-5(2)8-6;1-4-3-6-5(2)7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-5-4-6-3-1;2-1(3)4/h2-6,8H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);4H,3H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);3-4H,2H2,1H3,(H,5,6);2-3H,1H3,(H,5,6);4H,1-3H2,(H,5,6);(H5,2,3,4)
• InChIKey: BBUVTAWOTCZRTD-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 255.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.14
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine?

The IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine (CID 157300238) is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine.

What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine?

The canonical SMILES for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine is C1=NCCCN1.CC1=NCC(C)N1.CC1CN=C(c2ccccc2)N1.CC1CN=CN1.CCc1ncc(C)[nH]1.Cc1ncc[nH]1.[H]N=C(N)N.c1ccc(C2=NCCN2)cc1.

What is the InChIKey of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine?

The InChIKey is BBUVTAWOTCZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H10N2.C6H10N2.C5H10N2.C4H8N2.C4H6N2.C4H8N2.CH5N3/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-3-6-7-4-5(2)8-6;1-4-3-6-5(2)7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-5-4-6-3-1;2-1(3)4/h2-6,8H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);4H,3H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);3-4H,2H2,1H3,(H,5,6);2-3H,1H3,(H,5,6);4H,1-3H2,(H,5,6);(H5,2,3,4).

What are the key properties of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine?

2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine has a molecular weight of 824.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-ethyl-5-methyl-1H-imidazole;guanidine;5-methyl-4,5-dihydro-1H-imidazole;2-methyl-1H-imidazole;5-methyl-2-phenyl-4,5-dihydro-1H-imidazole;2-phenyl-4,5-dihydro-1H-imidazole;1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 157300238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).