5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

C22H21N5O — CID 136723963

IUPAC5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O/c1-26-18-9-5-4-8-17(18)25-22(26)20-19(28)13-27(21(20)23)11-10-14-12-24-16-7-3-2-6-15(14)16/h2-9,12,23-24,28H,10-11,13H2,1H3/b23-21-
InChIKeyBWZWKGUHWZXSNM-LNVKXUELSA-N
MW371.44 g/mol
LogP3.86
Rot. Bonds4

About 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 136723963) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
PubChem CID136723963
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O/c1-26-18-9-5-4-8-17(18)25-22(26)20-19(28)13-27(21(20)23)11-10-14-12-24-16-7-3-2-6-15(14)16/h2-9,12,23-24,28H,10-11,13H2,1H3/b23-21-
InChIKeyBWZWKGUHWZXSNM-LNVKXUELSA-N
XLogP3.86
TPSA80.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-yl)-5-imino-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-3-ol
CID 135587955
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-imino-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-3-ol
CID 136723835
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-imino-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-3-ol
CID 136725434
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-3-ol
CID 136723975
4-(1-ethylbenzimidazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-imino-2H-pyrrol-3-ol
CID 136723717
4-(1H-benzimidazol-2-yl)-5-imino-1-(2-phenylethyl)-2H-pyrrol-3-ol
CID 135491329
4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-1-(3-propan-2-yloxypropyl)-2H-pyrrol-3-ol
CID 136724172
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
4-(1H-benzimidazol-2-yl)-5-imino-1-(3-propan-2-yloxypropyl)-2H-pyrrol-3-ol
CID 135649218
4-(1,3-benzothiazol-2-yl)-5-imino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2H-pyrrol-3-ol
CID 135637054
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (CID 136723963) is 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1CCc1c[nH]c2ccccc12.
What is the InChIKey of 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is BWZWKGUHWZXSNM-LNVKXUELSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-18-9-5-4-8-17(18)25-22(26)20-19(28)13-27(21(20)23)11-10-14-12-24-16-7-3-2-6-15(14)16/h2-9,12,23-24,28H,10-11,13H2,1H3/b23-21-.
What are the key properties of 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 371.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-[2-(1H-indol-3-yl)ethyl]-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 136723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).