[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol

C16H16ClN3O — CID 62595467

IUPAC[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
SMILESCC(c1ccccc1Cl)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C16H16ClN3O/c1-10(12-4-2-3-5-13(12)17)20-15-7-6-11(18)8-14(15)19-16(20)9-21/h2-8,10,21H,9,18H2,1H3
InChIKeyKSGADTFDNPOAIU-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.37
Rot. Bonds3

About [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol

[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol (PubChem CID 62595467) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
PubChem CID62595467
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
SMILESCC(c1ccccc1Cl)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C16H16ClN3O/c1-10(12-4-2-3-5-13(12)17)20-15-7-6-11(18)8-14(15)19-16(20)9-21/h2-8,10,21H,9,18H2,1H3
InChIKeyKSGADTFDNPOAIU-UHFFFAOYSA-N
XLogP3.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2859396
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CID 3147347
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CID 23607144
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CID 53319615
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CID 745860
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CID 749157
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CID 866275
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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol (CID 62595467) is [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol is CC(c1ccccc1Cl)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is KSGADTFDNPOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10(12-4-2-3-5-13(12)17)20-15-7-6-11(18)8-14(15)19-16(20)9-21/h2-8,10,21H,9,18H2,1H3.
What are the key properties of [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol?
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 301.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 62595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).