3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

C13H18N4O2 — CID 115180781

IUPAC3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCn1cnc2cc(CCNC(=O)C(O)CN)ccc21
InChIInChI=1S/C13H18N4O2/c1-17-8-16-10-6-9(2-3-11(10)17)4-5-15-13(19)12(18)7-14/h2-3,6,8,12,18H,4-5,7,14H2,1H3,(H,15,19)
InChIKeyQDXAEUZAOSWVRV-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.45
Rot. Bonds5

About 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 115180781) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID115180781
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCn1cnc2cc(CCNC(=O)C(O)CN)ccc21
InChIInChI=1S/C13H18N4O2/c1-17-8-16-10-6-9(2-3-11(10)17)4-5-15-13(19)12(18)7-14/h2-3,6,8,12,18H,4-5,7,14H2,1H3,(H,15,19)
InChIKeyQDXAEUZAOSWVRV-UHFFFAOYSA-N
XLogP-0.45
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
4-(1-methylbenzimidazol-5-yl)butanehydrazide
CID 116843638
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (CID 115180781) is 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is Cn1cnc2cc(CCNC(=O)C(O)CN)ccc21.
What is the InChIKey of 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is QDXAEUZAOSWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-8-16-10-6-9(2-3-11(10)17)4-5-15-13(19)12(18)7-14/h2-3,6,8,12,18H,4-5,7,14H2,1H3,(H,15,19).
What are the key properties of 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115180781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).