N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide

C23H28N4O5 — CID 53199794

IUPACN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CC(C)C)C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-13(2)10-17(22(29)27-23-25-15-8-6-7-9-16(15)26-23)24-21(28)14-11-18(30-3)20(32-5)19(12-14)31-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,28)(H2,25,26,27,29)
InChIKeyKMPOMHPKXXEVMR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.37
Rot. Bonds9

About N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide

N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 53199794) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID53199794
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CC(C)C)C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H28N4O5/c1-13(2)10-17(22(29)27-23-25-15-8-6-7-9-16(15)26-23)24-21(28)14-11-18(30-3)20(32-5)19(12-14)31-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,28)(H2,25,26,27,29)
InChIKeyKMPOMHPKXXEVMR-UHFFFAOYSA-N
XLogP3.37
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 40790316
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
CID 53199846
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide (CID 53199794) is N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(CC(C)C)C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is KMPOMHPKXXEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-13(2)10-17(22(29)27-23-25-15-8-6-7-9-16(15)26-23)24-21(28)14-11-18(30-3)20(32-5)19(12-14)31-4/h6-9,11-13,17H,10H2,1-5H3,(H,24,28)(H2,25,26,27,29).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 440.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 53199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).