carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)

C19H28N6O3 — CID 45049466

IUPACcarbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
SMILESCc1ccc(N=C(N)N)c(C)c1.Cc1ccc(N=C(N)N)c(C)c1.O=C(O)O
InChIInChI=1S/2C9H13N3.CH2O3/c2*1-6-3-4-8(7(2)5-6)12-9(10)11;2-1(3)4/h2*3-5H,1-2H3,(H4,10,11,12);(H2,2,3,4)
InChIKeyOJVONQKWTTYBCD-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.64
Rot. Bonds2

About carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)

carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) (PubChem CID 45049466) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine).

Molecular Properties

Compound Namecarbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
PubChem CID45049466
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Namecarbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)
SMILESCc1ccc(N=C(N)N)c(C)c1.Cc1ccc(N=C(N)N)c(C)c1.O=C(O)O
InChIInChI=1S/2C9H13N3.CH2O3/c2*1-6-3-4-8(7(2)5-6)12-9(10)11;2-1(3)4/h2*3-5H,1-2H3,(H4,10,11,12);(H2,2,3,4)
InChIKeyOJVONQKWTTYBCD-UHFFFAOYSA-N
XLogP2.64
TPSA186.33 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 52.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-amino-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 15889680
2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine
CID 163173729
2-(diaminomethylideneamino)-4-methylbenzenesulfonic acid
CID 156788571
copper;bis(methyl N'-(2,4-dimethylphenyl)-N-(4-methylbenzoyl)carbamimidate)
CID 139084118
carbonic acid;1,4-xylene
CID 89415214
1-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)ethanimine
CID 143659682
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
2-(2,4-dimethylphenyl)sulfonylguanidine
CID 46256438
methyl (E)-2-[(2,4-dimethylphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135485999
ethyl 4-chloro-2-[(2,4-dimethylphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135531055

Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)?
The IUPAC name of carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) (CID 45049466) is carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine).
What is the SMILES notation for carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)?
The canonical SMILES for carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) is Cc1ccc(N=C(N)N)c(C)c1.Cc1ccc(N=C(N)N)c(C)c1.O=C(O)O.
What is the InChIKey of carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)?
The InChIKey is OJVONQKWTTYBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N3.CH2O3/c2*1-6-3-4-8(7(2)5-6)12-9(10)11;2-1(3)4/h2*3-5H,1-2H3,(H4,10,11,12);(H2,2,3,4).
What are the key properties of carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine)?
carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) has a molecular weight of 388.47 g/mol, XLogP of 2.64, 2 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(2-(2,4-dimethylphenyl)guanidine) is sourced from PubChem (CID 45049466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).