1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol

C10H13N3O — CID 82603982

IUPAC1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-11-6-9(14)10-12-7-4-2-3-5-8(7)13-10/h2-5,9,11,14H,6H2,1H3,(H,12,13)
InChIKeyXNYNINUKCLQXKA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.82
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol

1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol (PubChem CID 82603982) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
PubChem CID82603982
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-11-6-9(14)10-12-7-4-2-3-5-8(7)13-10/h2-5,9,11,14H,6H2,1H3,(H,12,13)
InChIKeyXNYNINUKCLQXKA-UHFFFAOYSA-N
XLogP0.82
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
2-propan-2-yl-1H-benzimidazole
CID 22121
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol (CID 82603982) is 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol is CNCC(O)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol?
The InChIKey is XNYNINUKCLQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-11-6-9(14)10-12-7-4-2-3-5-8(7)13-10/h2-5,9,11,14H,6H2,1H3,(H,12,13).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol?
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82603982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).