2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide

C16H16N4O — CID 101429158

IUPAC2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
SMILESCCc1ccc(Nc2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c1-2-10-3-6-12(7-4-10)18-16-19-13-8-5-11(15(17)21)9-14(13)20-16/h3-9H,2H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyJPFPPQPCQBEVCC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide

2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide (PubChem CID 101429158) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
PubChem CID101429158
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
SMILESCCc1ccc(Nc2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c1-2-10-3-6-12(7-4-10)18-16-19-13-8-5-11(15(17)21)9-14(13)20-16/h3-9H,2H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyJPFPPQPCQBEVCC-UHFFFAOYSA-N
XLogP2.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
CID 110772780
ethyl 2-(3-nitroanilino)-3H-benzimidazole-5-carboxylate
CID 82563148
methyl 4-[[6-[bis(3-methylbutyl)carbamoyl]-1H-benzimidazol-2-yl]amino]benzoate
CID 71160709
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
ethyl 2-(2,6-difluoroanilino)-3H-benzimidazole-5-carboxylate
CID 82563145
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
ethyl 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylate
CID 82563178
6-methyl-N-[4-(propylsulfanylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377229

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide (CID 101429158) is 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide is CCc1ccc(Nc2nc3ccc(C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide?
The InChIKey is JPFPPQPCQBEVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-10-3-6-12(7-4-10)18-16-19-13-8-5-11(15(17)21)9-14(13)20-16/h3-9H,2H2,1H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide?
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 101429158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).