4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide

C22H26N4O2 — CID 49340123

IUPAC4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O2/c1-14(2)13-23-22(28)16-8-9-17(15(3)12-16)26-21(27)11-10-20-24-18-6-4-5-7-19(18)25-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyQESUBQDJNNHXCQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.83
Rot. Bonds7

About 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide

4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 49340123) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID49340123
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O2/c1-14(2)13-23-22(28)16-8-9-17(15(3)12-16)26-21(27)11-10-20-24-18-6-4-5-7-19(18)25-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyQESUBQDJNNHXCQ-UHFFFAOYSA-N
XLogP3.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
3-methyl-N-(2-methylpropyl)-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 49340061
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide (CID 49340123) is 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is QESUBQDJNNHXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)13-23-22(28)16-8-9-17(15(3)12-16)26-21(27)11-10-20-24-18-6-4-5-7-19(18)25-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 49340123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).