2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide

C22H19N5 — CID 46830238

IUPAC2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKeyUCQUHTKKHKLNML-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.07
Rot. Bonds4

About 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide

2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide (PubChem CID 46830238) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide
PubChem CID46830238
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKeyUCQUHTKKHKLNML-UHFFFAOYSA-N
XLogP4.07
TPSA115.53 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Carbazole
CID 6854
7H-Dibenzo(c,g)carbazole
CID 9134
2-Methylindole
CID 7224
LE-300
CID 4350931
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Gat211
CID 4402318
4',6-Diamidino-2-Phenylindole
CID 2954
2,3-diphenyl-1H-indole
CID 77020
Benzo[a]carbazole
CID 9196
3-((Dimethylamino)methyl)-2-methylindole
CID 181513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide?
The IUPAC name of 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide (CID 46830238) is 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide?
The canonical SMILES for 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide?
The InChIKey is UCQUHTKKHKLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26).
What are the key properties of 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide?
2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide has a molecular weight of 353.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide is sourced from PubChem (CID 46830238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).