3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole

C22H18N4O — CID 162734653

IUPAC3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole
SMILESCOc1cc2c(Cn3ccnc3)nn(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H18N4O/c1-27-21-13-19-20(14-25-12-11-23-15-25)24-26(16-7-3-2-4-8-16)22(19)18-10-6-5-9-17(18)21/h2-13,15H,14H2,1H3
InChIKeyOVRUVJIWBGLNFY-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.43
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole

3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole (PubChem CID 162734653) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole
PubChem CID162734653
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole
SMILESCOc1cc2c(Cn3ccnc3)nn(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H18N4O/c1-27-21-13-19-20(14-25-12-11-23-15-25)24-26(16-7-3-2-4-8-16)22(19)18-10-6-5-9-17(18)21/h2-13,15H,14H2,1H3
InChIKeyOVRUVJIWBGLNFY-UHFFFAOYSA-N
XLogP4.43
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-phenyl-3-prop-1-en-2-ylbenzo[g]indazole
CID 162734756
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]imidazole
CID 102363409
5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
2-imidazol-1-yl-N-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-phenylethanamine
CID 167966946
bis[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]methanone
CID 57036756

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole (CID 162734653) is 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole is COc1cc2c(Cn3ccnc3)nn(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole?
The InChIKey is OVRUVJIWBGLNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-27-21-13-19-20(14-25-12-11-23-15-25)24-26(16-7-3-2-4-8-16)22(19)18-10-6-5-9-17(18)21/h2-13,15H,14H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole?
3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole has a molecular weight of 354.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole is sourced from PubChem (CID 162734653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).