2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide

C13H16N4O2 — CID 62595456

IUPAC2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
SMILESNc1ccc2c(c1)nc(CO)n2CC(=O)NC1CC1
InChIInChI=1S/C13H16N4O2/c14-8-1-4-11-10(5-8)16-12(7-18)17(11)6-13(19)15-9-2-3-9/h1,4-5,9,18H,2-3,6-7,14H2,(H,15,19)
InChIKeyRBACWVVVPVIXNK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.39
Rot. Bonds4

About 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide

2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide (PubChem CID 62595456) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
PubChem CID62595456
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
SMILESNc1ccc2c(c1)nc(CO)n2CC(=O)NC1CC1
InChIInChI=1S/C13H16N4O2/c14-8-1-4-11-10(5-8)16-12(7-18)17(11)6-13(19)15-9-2-3-9/h1,4-5,9,18H,2-3,6-7,14H2,(H,15,19)
InChIKeyRBACWVVVPVIXNK-UHFFFAOYSA-N
XLogP0.39
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.39
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

3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 79292582
2-[2-(chloromethyl)-5-isocyanobenzimidazol-1-yl]-N-cyclohexylacetamide
CID 20585754
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 66111401
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 116738808
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 43667749
3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137534
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide (CID 62595456) is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide is Nc1ccc2c(c1)nc(CO)n2CC(=O)NC1CC1.
What is the InChIKey of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is RBACWVVVPVIXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-1-4-11-10(5-8)16-12(7-18)17(11)6-13(19)15-9-2-3-9/h1,4-5,9,18H,2-3,6-7,14H2,(H,15,19).
What are the key properties of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide?
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 260.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 62595456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).