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

C14H20N4O2 — CID 62594171

IUPAC2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C14H20N4O2/c1-3-6-16-14(20)9(2)18-12-5-4-10(15)7-11(12)17-13(18)8-19/h4-5,7,9,19H,3,6,8,15H2,1-2H3,(H,16,20)
InChIKeyBSYPXCOFLHFMPH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.20
Rot. Bonds5

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

2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide (PubChem CID 62594171) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
PubChem CID62594171
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C14H20N4O2/c1-3-6-16-14(20)9(2)18-12-5-4-10(15)7-11(12)17-13(18)8-19/h4-5,7,9,19H,3,6,8,15H2,1-2H3,(H,16,20)
InChIKeyBSYPXCOFLHFMPH-UHFFFAOYSA-N
XLogP1.20
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.20
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

(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
CID 63011474
2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]-N-propylpropanamide
CID 61478328
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 43447842
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-3-methoxypropan-1-ol
CID 114155636
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65344760
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
CID 106162666

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide (CID 62594171) is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide?
The InChIKey is BSYPXCOFLHFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-6-16-14(20)9(2)18-12-5-4-10(15)7-11(12)17-13(18)8-19/h4-5,7,9,19H,3,6,8,15H2,1-2H3,(H,16,20).
What are the key properties of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide?
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.20, 5 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-propylpropanamide is sourced from PubChem (CID 62594171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).