2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide

C20H23N3O — CID 17032336

IUPAC2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-15(2)21-20(24)14-23-18-12-8-7-11-17(18)22-19(23)13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)
InChIKeyYKYWNQHOYJZTHC-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide

2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide (PubChem CID 17032336) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
PubChem CID17032336
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-15(2)21-20(24)14-23-18-12-8-7-11-17(18)22-19(23)13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)
InChIKeyYKYWNQHOYJZTHC-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide (CID 17032336) is 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide?
The InChIKey is YKYWNQHOYJZTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-15(2)21-20(24)14-23-18-12-8-7-11-17(18)22-19(23)13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide?
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide has a molecular weight of 321.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 17032336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).