1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide

C16H14N6O2 — CID 135877247

IUPAC1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C16H14N6O2/c1-2-22-14-6-3-9(7-13(14)20-21-22)15(23)17-10-4-5-11-12(8-10)19-16(24)18-11/h3-8H,2H2,1H3,(H,17,23)(H2,18,19,24)
InChIKeyBEJRSZSLAXZVPE-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.87
Rot. Bonds3

About 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide

1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide (PubChem CID 135877247) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
PubChem CID135877247
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C16H14N6O2/c1-2-22-14-6-3-9(7-13(14)20-21-22)15(23)17-10-4-5-11-12(8-10)19-16(24)18-11/h3-8H,2H2,1H3,(H,17,23)(H2,18,19,24)
InChIKeyBEJRSZSLAXZVPE-UHFFFAOYSA-N
XLogP1.87
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]benzotriazole-5-carboxamide
CID 60516536
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
1-ethyl-N-(4-methyl-1H-pyrazol-5-yl)benzotriazole-5-carboxamide
CID 115630210
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 26499294
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide (CID 135877247) is 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21.
What is the InChIKey of 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide?
The InChIKey is BEJRSZSLAXZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-2-22-14-6-3-9(7-13(14)20-21-22)15(23)17-10-4-5-11-12(8-10)19-16(24)18-11/h3-8H,2H2,1H3,(H,17,23)(H2,18,19,24).
What are the key properties of 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide?
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 135877247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).