N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide

C17H16N4O — CID 142223584

IUPACN-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(ccn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H16N4O/c1-22-15-5-2-12(3-6-15)11-21-9-8-13-10-14(17(18)20-19)4-7-16(13)21/h2-10,18-19H,11H2,1H3/b18-17-,20-19+
InChIKeyJCJMSPKLDQACMA-SCMBIPALSA-N
MW292.34 g/mol
LogP4.05
Rot. Bonds4

About N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide

N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide (PubChem CID 142223584) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide.

Molecular Properties

Compound NameN-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
PubChem CID142223584
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(ccn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H16N4O/c1-22-15-5-2-12(3-6-15)11-21-9-8-13-10-14(17(18)20-19)4-7-16(13)21/h2-10,18-19H,11H2,1H3/b18-17-,20-19+
InChIKeyJCJMSPKLDQACMA-SCMBIPALSA-N
XLogP4.05
TPSA74.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235
1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 89319036
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
N'-diazenyl-1-(naphthalen-2-ylmethyl)indole-5-carboximidamide
CID 154537160
3-chloro-4-[1-[(4-methoxyphenyl)methyl]indol-5-yl]oxybenzoic acid
CID 10787582
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915

Frequently Asked Questions

What is the IUPAC name of N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide?
The IUPAC name of N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide (CID 142223584) is N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide.
What is the SMILES notation for N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide?
The canonical SMILES for N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide is [H]/N=C(\N=N\[H])c1ccc2c(ccn2Cc2ccc(OC)cc2)c1.
What is the InChIKey of N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide?
The InChIKey is JCJMSPKLDQACMA-SCMBIPALSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-5-2-12(3-6-15)11-21-9-8-13-10-14(17(18)20-19)4-7-16(13)21/h2-10,18-19H,11H2,1H3/b18-17-,20-19+.
What are the key properties of N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide?
N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide has a molecular weight of 292.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide is sourced from PubChem (CID 142223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).