2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide

C18H26N4O2 — CID 17030947

IUPAC2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-13(23)19-11-7-10-16-20-14-8-5-6-9-15(14)22(16)12-17(24)21-18(2,3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,23)(H,21,24)
InChIKeyCCYISRCAQHPEPM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide (PubChem CID 17030947) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
PubChem CID17030947
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-13(23)19-11-7-10-16-20-14-8-5-6-9-15(14)22(16)12-17(24)21-18(2,3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,23)(H,21,24)
InChIKeyCCYISRCAQHPEPM-UHFFFAOYSA-N
XLogP2.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide (CID 17030947) is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide is CC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide?
The InChIKey is CCYISRCAQHPEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(23)19-11-7-10-16-20-14-8-5-6-9-15(14)22(16)12-17(24)21-18(2,3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,23)(H,21,24).
What are the key properties of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide?
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 17030947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).