2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide

C19H23N5O — CID 139966344

IUPAC2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-4-20-18(25)11-5-6-13-14(9-11)22-17(21-13)16-12-7-8-19(2,3)10-15(12)23-24-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyQOEFWIAEPCGVLA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.22
Rot. Bonds3

About 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide

2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide (PubChem CID 139966344) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
PubChem CID139966344
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-4-20-18(25)11-5-6-13-14(9-11)22-17(21-13)16-12-7-8-19(2,3)10-15(12)23-24-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyQOEFWIAEPCGVLA-UHFFFAOYSA-N
XLogP3.22
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 135430875
4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
CID 139966343
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-2-ethyl-N-methylbutanamide
CID 164532285
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide
CID 164532357
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone
CID 166113096
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2-[4-[6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649285
2-(1H-indazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 135750628
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 167190746

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide (CID 139966344) is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide is CCNC(=O)c1ccc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.
What is the InChIKey of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QOEFWIAEPCGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-20-18(25)11-5-6-13-14(9-11)22-17(21-13)16-12-7-8-19(2,3)10-15(12)23-24-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide?
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 139966344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).