N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide

C19H21N3O — CID 46393076

IUPACN-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(CCC(=O)Nc3cccc(C)c3C)cc2[nH]1
InChIInChI=1S/C19H21N3O/c1-12-5-4-6-16(13(12)2)22-19(23)10-8-15-7-9-17-18(11-15)21-14(3)20-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyQULYBEMQHFMVJL-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.06
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide

N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 46393076) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID46393076
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(CCC(=O)Nc3cccc(C)c3C)cc2[nH]1
InChIInChI=1S/C19H21N3O/c1-12-5-4-6-16(13(12)2)22-19(23)10-8-15-7-9-17-18(11-15)21-14(3)20-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyQULYBEMQHFMVJL-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28713065
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N,N'-bis(2,3-dimethylphenyl)butanediamide
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N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131255
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
CID 7450193
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 46393076) is N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide is Cc1nc2ccc(CCC(=O)Nc3cccc(C)c3C)cc2[nH]1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is QULYBEMQHFMVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-5-4-6-16(13(12)2)22-19(23)10-8-15-7-9-17-18(11-15)21-14(3)20-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 46393076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).