5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole

C22H29N5 — CID 141153503

IUPAC5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
SMILESCCN1CC(CC)(CC)c2cc3[nH]c(-c4n[nH]c5c4CCCC5)nc3cc21
InChIInChI=1S/C22H29N5/c1-4-22(5-2)13-27(6-3)19-12-18-17(11-15(19)22)23-21(24-18)20-14-9-7-8-10-16(14)25-26-20/h11-12H,4-10,13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIXKVVUYUMSXGSJ-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.73
Rot. Bonds4

About 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole

5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole (PubChem CID 141153503) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole.

Molecular Properties

Compound Name5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
PubChem CID141153503
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
SMILESCCN1CC(CC)(CC)c2cc3[nH]c(-c4n[nH]c5c4CCCC5)nc3cc21
InChIInChI=1S/C22H29N5/c1-4-22(5-2)13-27(6-3)19-12-18-17(11-15(19)22)23-21(24-18)20-14-9-7-8-10-16(14)25-26-20/h11-12H,4-10,13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIXKVVUYUMSXGSJ-UHFFFAOYSA-N
XLogP4.73
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135526520
2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135526527
5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
CID 141143475
1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 135601417
acetic acid;2-[5-(1,3-benzodioxol-5-yl)-1H-indazol-3-yl]-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797361
4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
CID 139966343
5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
CID 141136916
1-[4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 135430875
5-ethyl-2-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indazol-3-yl]-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797371
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 139966344
N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
CID 136650351
5-ethyl-7,7-dimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135425354

Frequently Asked Questions

What is the IUPAC name of 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The IUPAC name of 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole (CID 141153503) is 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole.
What is the SMILES notation for 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The canonical SMILES for 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole is CCN1CC(CC)(CC)c2cc3[nH]c(-c4n[nH]c5c4CCCC5)nc3cc21.
What is the InChIKey of 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The InChIKey is IXKVVUYUMSXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-4-22(5-2)13-27(6-3)19-12-18-17(11-15(19)22)23-21(24-18)20-14-9-7-8-10-16(14)25-26-20/h11-12H,4-10,13H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-triethyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole is sourced from PubChem (CID 141153503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).