2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol

C16H17N3O — CID 139235304

IUPAC2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-19(10-11-20)13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyPVABTKVJTYSRBS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol

2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol (PubChem CID 139235304) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
PubChem CID139235304
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-19(10-11-20)13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyPVABTKVJTYSRBS-UHFFFAOYSA-N
XLogP2.66
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol (CID 139235304) is 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol is CN(CCO)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol?
The InChIKey is PVABTKVJTYSRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(10-11-20)13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9,20H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol?
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol is sourced from PubChem (CID 139235304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).