N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide

C19H20N4O2 — CID 100776792

IUPACN-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2n1C
InChIInChI=1S/C19H20N4O2/c1-4-18-22-16-10-13(8-9-17(16)23(18)3)19(25)21-15-7-5-6-14(11-15)20-12(2)24/h5-11H,4H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOCMFVSJNLWMOHH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.35
Rot. Bonds4

About N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide

N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide (PubChem CID 100776792) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
PubChem CID100776792
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2n1C
InChIInChI=1S/C19H20N4O2/c1-4-18-22-16-10-13(8-9-17(16)23(18)3)19(25)21-15-7-5-6-14(11-15)20-12(2)24/h5-11H,4H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOCMFVSJNLWMOHH-UHFFFAOYSA-N
XLogP3.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217
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CID 110765831
N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765757
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
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N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4890462
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
3-cyano-N-[3-[2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazol-5-yl]phenyl]benzamide
CID 175824528
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide (CID 100776792) is N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide is CCc1nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2n1C.
What is the InChIKey of N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is OCMFVSJNLWMOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-18-22-16-10-13(8-9-17(16)23(18)3)19(25)21-15-7-5-6-14(11-15)20-12(2)24/h5-11H,4H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide?
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100776792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).