2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide

C16H24N4O — CID 62507372

IUPAC2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-5-8-18-14(21)10-20-13-7-6-11(17)9-12(13)19-15(20)16(2,3)4/h6-7,9H,5,8,10,17H2,1-4H3,(H,18,21)
InChIKeyMBRYEAJQXSNHRS-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.44
Rot. Bonds4

About 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide

2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide (PubChem CID 62507372) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
PubChem CID62507372
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-5-8-18-14(21)10-20-13-7-6-11(17)9-12(13)19-15(20)16(2,3)4/h6-7,9H,5,8,10,17H2,1-4H3,(H,18,21)
InChIKeyMBRYEAJQXSNHRS-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
CID 106098514
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 43661209
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79885020

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide (CID 62507372) is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C(C)(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is MBRYEAJQXSNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-8-18-14(21)10-20-13-7-6-11(17)9-12(13)19-15(20)16(2,3)4/h6-7,9H,5,8,10,17H2,1-4H3,(H,18,21).
What are the key properties of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide?
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 288.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 62507372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).