5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole

C17H18N4O3S — CID 70037660

IUPAC5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
SMILESCOc1ccc2c(c1)c(Cc1cc3[nH]c(S(C)(=O)=O)nc3[nH]1)cn2C
InChIInChI=1S/C17H18N4O3S/c1-21-9-10(13-8-12(24-2)4-5-15(13)21)6-11-7-14-16(18-11)20-17(19-14)25(3,22)23/h4-5,7-9,18H,6H2,1-3H3,(H,19,20)
InChIKeyVXWMFAUXMFETAQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.39
Rot. Bonds4

About 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole

5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole (PubChem CID 70037660) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
PubChem CID70037660
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
SMILESCOc1ccc2c(c1)c(Cc1cc3[nH]c(S(C)(=O)=O)nc3[nH]1)cn2C
InChIInChI=1S/C17H18N4O3S/c1-21-9-10(13-8-12(24-2)4-5-15(13)21)6-11-7-14-16(18-11)20-17(19-14)25(3,22)23/h4-5,7-9,18H,6H2,1-3H3,(H,19,20)
InChIKeyVXWMFAUXMFETAQ-UHFFFAOYSA-N
XLogP2.39
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole 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

5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
CID 142199899
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole?
The IUPAC name of 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole (CID 70037660) is 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole?
The canonical SMILES for 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole is COc1ccc2c(c1)c(Cc1cc3[nH]c(S(C)(=O)=O)nc3[nH]1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole?
The InChIKey is VXWMFAUXMFETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21-9-10(13-8-12(24-2)4-5-15(13)21)6-11-7-14-16(18-11)20-17(19-14)25(3,22)23/h4-5,7-9,18H,6H2,1-3H3,(H,19,20).
What are the key properties of 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole?
5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole has a molecular weight of 358.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole is sourced from PubChem (CID 70037660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).