1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride

C10H15Cl2N5 — CID 24839279

IUPAC1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN5.ClH/c1-16(9(12)13)10(14)15-6-7-2-4-8(11)5-3-7;/h2-5H,6H2,1H3,(H3,12,13)(H2,14,15);1H
InChIKeyCSVFGSSIZYOOFH-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.40
Rot. Bonds2

About 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride

1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride (PubChem CID 24839279) has the molecular formula C10H15Cl2N5 and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
PubChem CID24839279
Molecular FormulaC10H15Cl2N5
Molecular Weight276.17 g/mol
Exact Mass275.07
IUPAC Name1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN5.ClH/c1-16(9(12)13)10(14)15-6-7-2-4-8(11)5-3-7;/h2-5H,6H2,1H3,(H3,12,13)(H2,14,15);1H
InChIKeyCSVFGSSIZYOOFH-UHFFFAOYSA-N
XLogP1.40
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride (CID 24839279) is 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)cc1.
What is the InChIKey of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride?
The InChIKey is CSVFGSSIZYOOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5.ClH/c1-16(9(12)13)10(14)15-6-7-2-4-8(11)5-3-7;/h2-5H,6H2,1H3,(H3,12,13)(H2,14,15);1H.
What are the key properties of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride?
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride has a molecular weight of 276.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride is sourced from PubChem (CID 24839279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).