2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide

C17H26N4O — CID 82067573

IUPAC2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(CC)CC)nc2c(N)cccc21
InChIInChI=1S/C17H26N4O/c1-4-10-19-15(22)11-21-14-9-7-8-13(18)16(14)20-17(21)12(5-2)6-3/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,22)
InChIKeyAVDCDBCHSFEXMW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide

2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide (PubChem CID 82067573) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
PubChem CID82067573
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(CC)CC)nc2c(N)cccc21
InChIInChI=1S/C17H26N4O/c1-4-10-19-15(22)11-21-14-9-7-8-13(18)16(14)20-17(21)12(5-2)6-3/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,22)
InChIKeyAVDCDBCHSFEXMW-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.05
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-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide (CID 82067573) is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C(CC)CC)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is AVDCDBCHSFEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-10-19-15(22)11-21-14-9-7-8-13(18)16(14)20-17(21)12(5-2)6-3/h7-9,12H,4-6,10-11,18H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide?
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 302.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 82067573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).