2-[(1-methylbenzimidazol-2-yl)amino]ethanol

C10H13N3O — CID 2772787

IUPAC2-[(1-methylbenzimidazol-2-yl)amino]ethanol
SMILESCn1c(NCCO)nc2ccccc21
InChIInChI=1S/C10H13N3O/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyAGVCWRQUNMNVHV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.98
Rot. Bonds3

About 2-[(1-methylbenzimidazol-2-yl)amino]ethanol

2-[(1-methylbenzimidazol-2-yl)amino]ethanol (PubChem CID 2772787) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)amino]ethanol
PubChem CID2772787
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[(1-methylbenzimidazol-2-yl)amino]ethanol
SMILESCn1c(NCCO)nc2ccccc21
InChIInChI=1S/C10H13N3O/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyAGVCWRQUNMNVHV-UHFFFAOYSA-N
XLogP0.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]ethanol (CID 2772787) is 2-[(1-methylbenzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)amino]ethanol is Cn1c(NCCO)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)amino]ethanol?
The InChIKey is AGVCWRQUNMNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)amino]ethanol?
2-[(1-methylbenzimidazol-2-yl)amino]ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 2772787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).