N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

C23H28N4O4 — CID 55862157

IUPACN-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCC(C)C(NC(=O)CNC(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O4/c1-5-14(2)21(22-25-16-8-6-7-9-17(16)26-22)27-20(28)13-24-23(29)15-10-11-18(30-3)19(12-15)31-4/h6-12,14,21H,5,13H2,1-4H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyAIVXBMFHFJWUAN-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.21
Rot. Bonds9

About N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 55862157) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID55862157
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCC(C)C(NC(=O)CNC(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O4/c1-5-14(2)21(22-25-16-8-6-7-9-17(16)26-22)27-20(28)13-24-23(29)15-10-11-18(30-3)19(12-15)31-4/h6-12,14,21H,5,13H2,1-4H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyAIVXBMFHFJWUAN-UHFFFAOYSA-N
XLogP3.21
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-5-fluoro-2-methoxybenzamide
CID 55876309
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 40790316
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 55862157) is N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is CCC(C)C(NC(=O)CNC(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is AIVXBMFHFJWUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-14(2)21(22-25-16-8-6-7-9-17(16)26-22)27-20(28)13-24-23(29)15-10-11-18(30-3)19(12-15)31-4/h6-12,14,21H,5,13H2,1-4H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 424.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55862157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).