2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile

C15H11ClN4O — CID 11437999

IUPAC2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
SMILESCc1c(Cl)cccc1Nc1nc2c(O)cc(C#N)cc2[nH]1
InChIInChI=1S/C15H11ClN4O/c1-8-10(16)3-2-4-11(8)18-15-19-12-5-9(7-17)6-13(21)14(12)20-15/h2-6,21H,1H3,(H2,18,19,20)
InChIKeyZMAULPCAHIDZOD-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile

2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile (PubChem CID 11437999) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
PubChem CID11437999
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
SMILESCc1c(Cl)cccc1Nc1nc2c(O)cc(C#N)cc2[nH]1
InChIInChI=1S/C15H11ClN4O/c1-8-10(16)3-2-4-11(8)18-15-19-12-5-9(7-17)6-13(21)14(12)20-15/h2-6,21H,1H3,(H2,18,19,20)
InChIKeyZMAULPCAHIDZOD-UHFFFAOYSA-N
XLogP3.85
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
CID 11737731
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
5-benzylsulfonyl-2-(3-chloro-2-methylanilino)-1H-benzimidazole-4-carboxylic acid
CID 70849216
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220
8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol
CID 11530958

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile (CID 11437999) is 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile is Cc1c(Cl)cccc1Nc1nc2c(O)cc(C#N)cc2[nH]1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The InChIKey is ZMAULPCAHIDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-8-10(16)3-2-4-11(8)18-15-19-12-5-9(7-17)6-13(21)14(12)20-15/h2-6,21H,1H3,(H2,18,19,20).
What are the key properties of 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 11437999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).