2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone

C20H17N3O2 — CID 742705

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccco2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19/h1-12,21H,13-14H2/b21-20-
InChIKeyBAMHJKLCNRNTDC-MRCUWXFGSA-N
MW331.38 g/mol
LogP3.45
Rot. Bonds5

About 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone (PubChem CID 742705) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
PubChem CID742705
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccco2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19/h1-12,21H,13-14H2/b21-20-
InChIKeyBAMHJKLCNRNTDC-MRCUWXFGSA-N
XLogP3.45
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019
2-(3-benzyl-2-iminobenzimidazol-1-yl)acetic acid
CID 780937
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone
CID 3914531
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone;hydrobromide
CID 44889187
3-benzyl-2-iminobenzimidazole-1-carboxylic acid
CID 22930573
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide
CID 22930586
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenothiazin-10-ylethanone
CID 22930542
2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-phenylphenyl)ethanone
CID 4022529
1-(4-benzhydrylpiperazin-1-yl)-2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanone
CID 22930629
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-phenylphenyl)ethanone
CID 3124402
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone (CID 742705) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone is [H]/N=c1\n(CC(=O)c2ccco2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The InChIKey is BAMHJKLCNRNTDC-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19/h1-12,21H,13-14H2/b21-20-.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone has a molecular weight of 331.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).