1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride

C10H14Cl3N5 — CID 24839303

IUPAC1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N5.ClH/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6;/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16);1H
InChIKeyKNWHATIAJQUBER-UHFFFAOYSA-N
MW310.62 g/mol
LogP2.06
Rot. Bonds2

About 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride

1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride (PubChem CID 24839303) has the molecular formula C10H14Cl3N5 and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride
PubChem CID24839303
Molecular FormulaC10H14Cl3N5
Molecular Weight310.62 g/mol
Exact Mass309.03
IUPAC Name1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N5.ClH/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6;/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16);1H
InChIKeyKNWHATIAJQUBER-UHFFFAOYSA-N
XLogP2.06
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine
CID 24839304
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
CID 24839273
1-carbamimidoyl-2-[(2-ethoxyphenyl)methyl]-1-methylguanidine
CID 24839332
2-[(4-bromophenyl)methyl]-1-carbamimidoyl-1-propan-2-ylguanidine
CID 24839256
1-carbamimidoyl-2-[(2-chlorophenyl)methyl]-1-propan-2-ylguanidine
CID 24839276
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
7-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide;dihydrochloride
CID 70213647
1-[amino-(1,3-benzodioxol-5-ylamino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine;hydrochloride
CID 158835764
(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
CID 15233170
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride (CID 24839303) is 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The InChIKey is KNWHATIAJQUBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N5.ClH/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6;/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16);1H.
What are the key properties of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride?
1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride has a molecular weight of 310.62 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride is sourced from PubChem (CID 24839303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).