2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile

C16H12Cl2N4O — CID 90644763

IUPAC2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C16H12Cl2N4O/c17-11-3-1-2-10(15(11)18)14(23)8-22-13-6-9(7-19)4-5-12(13)21-16(22)20/h1-6,14,23H,8H2,(H2,20,21)
InChIKeyVXAWXPRCMSBQSR-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.53
Rot. Bonds3

About 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile

2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile (PubChem CID 90644763) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile
PubChem CID90644763
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C16H12Cl2N4O/c17-11-3-1-2-10(15(11)18)14(23)8-22-13-6-9(7-19)4-5-12(13)21-16(22)20/h1-6,14,23H,8H2,(H2,20,21)
InChIKeyVXAWXPRCMSBQSR-UHFFFAOYSA-N
XLogP3.53
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
CID 44532771
2-[2-Amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
CID 90644762
2-(2-Amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644765
2-(2-Aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644766
2-(2-Aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644774
[1-[(2-Chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 16012746
(1-(3,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)(phenyl)methanol
CID 2959911
2-[(4-Chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile
CID 118515905
3-(2-chlorophenyl)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile
CID 3106363
(1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)(phenyl)methanol
CID 2960419
(E)-(2,4-dichlorobenzoyl)(1-methyl-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene)acetonitrile
CID 4523791
2-(1-Benzimidazolyl)-1-(2,4-dichlorophenyl)ethanol
CID 141472287

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile (CID 90644763) is 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1.
What is the InChIKey of 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile?
The InChIKey is VXAWXPRCMSBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-11-3-1-2-10(15(11)18)14(23)8-22-13-6-9(7-19)4-5-12(13)21-16(22)20/h1-6,14,23H,8H2,(H2,20,21).
What are the key properties of 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile?
2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile has a molecular weight of 347.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 90644763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).