4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide

C13H18N4O2 — CID 55091707

IUPAC4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
SMILESCC(O)c1nc2cc(N)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H18N4O2/c1-8(18)13-16-10-7-9(14)4-5-11(10)17(13)6-2-3-12(15)19/h4-5,7-8,18H,2-3,6,14H2,1H3,(H2,15,19)
InChIKeyAUFVUZRBQDPXPM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds5

About 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide

4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide (PubChem CID 55091707) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
PubChem CID55091707
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
SMILESCC(O)c1nc2cc(N)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H18N4O2/c1-8(18)13-16-10-7-9(14)4-5-11(10)17(13)6-2-3-12(15)19/h4-5,7-8,18H,2-3,6,14H2,1H3,(H2,15,19)
InChIKeyAUFVUZRBQDPXPM-UHFFFAOYSA-N
XLogP0.94
TPSA107.16 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 ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide?
The IUPAC name of 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide (CID 55091707) is 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide.
What is the SMILES notation for 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide?
The canonical SMILES for 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide is CC(O)c1nc2cc(N)ccc2n1CCCC(N)=O.
What is the InChIKey of 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide?
The InChIKey is AUFVUZRBQDPXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(18)13-16-10-7-9(14)4-5-11(10)17(13)6-2-3-12(15)19/h4-5,7-8,18H,2-3,6,14H2,1H3,(H2,15,19).
What are the key properties of 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide?
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide has a molecular weight of 262.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide is sourced from PubChem (CID 55091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).