N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline

C18H21N5 — CID 166272050

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
SMILESCc1cnc(CNc2ccc(-c3n[nH]c4c3CCCC4)cc2)[nH]1
InChIInChI=1S/C18H21N5/c1-12-10-20-17(21-12)11-19-14-8-6-13(7-9-14)18-15-4-2-3-5-16(15)22-23-18/h6-10,19H,2-5,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyAZTFINKRWZSFIN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.60
Rot. Bonds4

About N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline

N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline (PubChem CID 166272050) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
PubChem CID166272050
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
SMILESCc1cnc(CNc2ccc(-c3n[nH]c4c3CCCC4)cc2)[nH]1
InChIInChI=1S/C18H21N5/c1-12-10-20-17(21-12)11-19-14-8-6-13(7-9-14)18-15-4-2-3-5-16(15)22-23-18/h6-10,19H,2-5,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyAZTFINKRWZSFIN-UHFFFAOYSA-N
XLogP3.60
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]thiourea
CID 169359415
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 169337120
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 168515124
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 61360412
4-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 3085913
5-[(5-methyl-1H-imidazol-2-yl)methylamino]-3,4-dihydro-2H-isoquinolin-1-one
CID 167768411
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
CID 168519342
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60862791

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline (CID 166272050) is N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline is Cc1cnc(CNc2ccc(-c3n[nH]c4c3CCCC4)cc2)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline?
The InChIKey is AZTFINKRWZSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-10-20-17(21-12)11-19-14-8-6-13(7-9-14)18-15-4-2-3-5-16(15)22-23-18/h6-10,19H,2-5,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline?
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline has a molecular weight of 307.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline is sourced from PubChem (CID 166272050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).