[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol

C22H21NOS — CID 168765988

IUPAC[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol
SMILESCc1c(-c2cc3ccccc3n2CC2CC2)sc2cccc(CO)c12
InChIInChI=1S/C22H21NOS/c1-14-21-17(13-24)6-4-8-20(21)25-22(14)19-11-16-5-2-3-7-18(16)23(19)12-15-9-10-15/h2-8,11,15,24H,9-10,12-13H2,1H3
InChIKeyKFHLGBJUFJMPIS-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.73
Rot. Bonds4

About [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol

[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol (PubChem CID 168765988) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol
PubChem CID168765988
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol
SMILESCc1c(-c2cc3ccccc3n2CC2CC2)sc2cccc(CO)c12
InChIInChI=1S/C22H21NOS/c1-14-21-17(13-24)6-4-8-20(21)25-22(14)19-11-16-5-2-3-7-18(16)23(19)12-15-9-10-15/h2-8,11,15,24H,9-10,12-13H2,1H3
InChIKeyKFHLGBJUFJMPIS-UHFFFAOYSA-N
XLogP5.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol?
The IUPAC name of [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol (CID 168765988) is [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol is Cc1c(-c2cc3ccccc3n2CC2CC2)sc2cccc(CO)c12.
What is the InChIKey of [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol?
The InChIKey is KFHLGBJUFJMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-14-21-17(13-24)6-4-8-20(21)25-22(14)19-11-16-5-2-3-7-18(16)23(19)12-15-9-10-15/h2-8,11,15,24H,9-10,12-13H2,1H3.
What are the key properties of [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol?
[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol has a molecular weight of 347.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 168765988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).