3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide

C14H18N4O2 — CID 79401244

IUPAC3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
SMILESNc1ccc2c(c1)nc(CO)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H18N4O2/c15-9-1-4-12-11(7-9)17-13(8-19)18(12)6-5-14(20)16-10-2-3-10/h1,4,7,10,19H,2-3,5-6,8,15H2,(H,16,20)
InChIKeySWZJHHCUOCFJKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.78
Rot. Bonds5

About 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide

3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide (PubChem CID 79401244) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
PubChem CID79401244
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
SMILESNc1ccc2c(c1)nc(CO)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H18N4O2/c15-9-1-4-12-11(7-9)17-13(8-19)18(12)6-5-14(20)16-10-2-3-10/h1,4,7,10,19H,2-3,5-6,8,15H2,(H,16,20)
InChIKeySWZJHHCUOCFJKX-UHFFFAOYSA-N
XLogP0.78
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.78
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

2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79378569
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45209652
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79377835
3-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 103593840
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
CID 90647636
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 116738415
3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 79400989

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide (CID 79401244) is 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide is Nc1ccc2c(c1)nc(CO)n2CCC(=O)NC1CC1.
What is the InChIKey of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The InChIKey is SWZJHHCUOCFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-9-1-4-12-11(7-9)17-13(8-19)18(12)6-5-14(20)16-10-2-3-10/h1,4,7,10,19H,2-3,5-6,8,15H2,(H,16,20).
What are the key properties of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 79401244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).