N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide

C21H22N4O — CID 86207491

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
SMILESCC(C)C(NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O/c1-14(2)20(21-22-16-8-4-5-9-17(16)23-21)24-19(26)13-25-12-11-15-7-3-6-10-18(15)25/h3-12,14,20H,13H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyRQKPEPLLORMRBX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide (PubChem CID 86207491) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
PubChem CID86207491
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
SMILESCC(C)C(NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O/c1-14(2)20(21-22-16-8-4-5-9-17(16)23-21)24-19(26)13-25-12-11-15-7-3-6-10-18(15)25/h3-12,14,20H,13H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyRQKPEPLLORMRBX-UHFFFAOYSA-N
XLogP4.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121708
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-indol-1-ylacetamide
CID 124627084
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25350284
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide (CID 86207491) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide is CC(C)C(NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide?
The InChIKey is RQKPEPLLORMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)20(21-22-16-8-4-5-9-17(16)23-21)24-19(26)13-25-12-11-15-7-3-6-10-18(15)25/h3-12,14,20H,13H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 86207491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).