4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine

C20H25N5O — CID 139966343

IUPAC4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
SMILESCC1(C)CCc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2C1
InChIInChI=1S/C20H25N5O/c1-20(2)6-5-14-17(12-20)23-24-18(14)19-21-15-4-3-13(11-16(15)22-19)25-7-9-26-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRHHONTBDHZQOJY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.30
Rot. Bonds2

About 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine

4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine (PubChem CID 139966343) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
PubChem CID139966343
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
SMILESCC1(C)CCc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2C1
InChIInChI=1S/C20H25N5O/c1-20(2)6-5-14-17(12-20)23-24-18(14)19-21-15-4-3-13(11-16(15)22-19)25-7-9-26-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRHHONTBDHZQOJY-UHFFFAOYSA-N
XLogP3.30
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine with MolForge

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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
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 139966344
(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 164532337
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
(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 135980528
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine (CID 139966343) is 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine is CC1(C)CCc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2C1.
What is the InChIKey of 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine?
The InChIKey is RHHONTBDHZQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-20(2)6-5-14-17(12-20)23-24-18(14)19-21-15-4-3-13(11-16(15)22-19)25-7-9-26-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine?
4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine has a molecular weight of 351.45 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 139966343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).