[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol

C14H11Cl2N3O — CID 62594707

IUPAC[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-10-3-2-9(6-11(10)16)19-13-4-1-8(17)5-12(13)18-14(19)7-20/h1-6,20H,7,17H2
InChIKeyBXLWMODLUCLZQN-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.41
Rot. Bonds2

About [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol

[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol (PubChem CID 62594707) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
PubChem CID62594707
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-10-3-2-9(6-11(10)16)19-13-4-1-8(17)5-12(13)18-14(19)7-20/h1-6,20H,7,17H2
InChIKeyBXLWMODLUCLZQN-UHFFFAOYSA-N
XLogP3.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol (CID 62594707) is [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol is Nc1ccc2c(c1)nc(CO)n2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol?
The InChIKey is BXLWMODLUCLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-10-3-2-9(6-11(10)16)19-13-4-1-8(17)5-12(13)18-14(19)7-20/h1-6,20H,7,17H2.
What are the key properties of [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol?
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol has a molecular weight of 308.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 62594707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).