4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride

C15H15Cl2N5 — CID 127044317

IUPAC4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Nc2nc3cc(Cl)c(C)cc3[nH]2)cc1
InChIInChI=1S/C15H14ClN5.ClH/c1-8-6-12-13(7-11(8)16)21-15(20-12)19-10-4-2-9(3-5-10)14(17)18;/h2-7H,1H3,(H3,17,18)(H2,19,20,21);1H
InChIKeyTYOBYHCBFZDZKS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.97
Rot. Bonds3

About 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride

4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride (PubChem CID 127044317) has the molecular formula C15H15Cl2N5 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride
PubChem CID127044317
Molecular FormulaC15H15Cl2N5
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC Name4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Nc2nc3cc(Cl)c(C)cc3[nH]2)cc1
InChIInChI=1S/C15H14ClN5.ClH/c1-8-6-12-13(7-11(8)16)21-15(20-12)19-10-4-2-9(3-5-10)14(17)18;/h2-7H,1H3,(H3,17,18)(H2,19,20,21);1H
InChIKeyTYOBYHCBFZDZKS-UHFFFAOYSA-N
XLogP3.97
TPSA90.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

4-(1H-benzimidazol-2-ylamino)benzenecarboximidamide
CID 127044519
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 94673305
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82184476
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 153286643
2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 6918212
4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
CID 123739747
4-[(6-acetyl-1H-benzimidazol-2-yl)methylamino]benzenecarboximidamide;methanamine
CID 143158639

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride (CID 127044317) is 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(Nc2nc3cc(Cl)c(C)cc3[nH]2)cc1.
What is the InChIKey of 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride?
The InChIKey is TYOBYHCBFZDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5.ClH/c1-8-6-12-13(7-11(8)16)21-15(20-12)19-10-4-2-9(3-5-10)14(17)18;/h2-7H,1H3,(H3,17,18)(H2,19,20,21);1H.
What are the key properties of 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride?
4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride has a molecular weight of 336.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-6-methyl-1H-benzimidazol-2-yl)amino]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 127044317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).