1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol

C16H15Cl2N3O — CID 168639246

IUPAC1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
SMILESOC(CCl)CNc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C16H15Cl2N3O/c17-8-13(22)9-19-12-5-6-14-15(7-12)21-16(20-14)10-1-3-11(18)4-2-10/h1-7,13,19,22H,8-9H2,(H,20,21)
InChIKeyRIDZOVOSAXZLCD-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.89
Rot. Bonds5

About 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol

1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol (PubChem CID 168639246) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
PubChem CID168639246
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
SMILESOC(CCl)CNc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C16H15Cl2N3O/c17-8-13(22)9-19-12-5-6-14-15(7-12)21-16(20-14)10-1-3-11(18)4-2-10/h1-7,13,19,22H,8-9H2,(H,20,21)
InChIKeyRIDZOVOSAXZLCD-UHFFFAOYSA-N
XLogP3.89
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(6-bromo-1H-benzimidazol-2-yl)anilino]propane-1,2-diol
CID 168594918
1-chloro-3-[[2-(2-methylpropyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
CID 168639641
1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
CID 168637298
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168594981
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
2-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]propanoic acid
CID 3046609
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol (CID 168639246) is 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol is OC(CCl)CNc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol?
The InChIKey is RIDZOVOSAXZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-8-13(22)9-19-12-5-6-14-15(7-12)21-16(20-14)10-1-3-11(18)4-2-10/h1-7,13,19,22H,8-9H2,(H,20,21).
What are the key properties of 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol?
1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol has a molecular weight of 336.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 168639246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).