N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide

C22H26N4O2 — CID 55628913

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)21(27)25-18-11-9-17(10-12-18)22(28)23-13-6-14-26-16(3)24-19-7-4-5-8-20(19)26/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyRPPBEGQBVHEFIE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.76
Rot. Bonds7

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide (PubChem CID 55628913) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
PubChem CID55628913
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)21(27)25-18-11-9-17(10-12-18)22(28)23-13-6-14-26-16(3)24-19-7-4-5-8-20(19)26/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyRPPBEGQBVHEFIE-UHFFFAOYSA-N
XLogP3.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111353071
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
CID 55340414
4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55394943
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide (CID 55628913) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide is Cc1nc2ccccc2n1CCCNC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is RPPBEGQBVHEFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)21(27)25-18-11-9-17(10-12-18)22(28)23-13-6-14-26-16(3)24-19-7-4-5-8-20(19)26/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,28)(H,25,27).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 55628913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).