1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C25H29N5O — CID 51038934

IUPAC1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCN2CCN(c3ccc4ccn(C)c4c3)CC2)c2ccccc21
InChIInChI=1S/C25H29N5O/c1-19(2)30-23-7-5-4-6-22(23)29(25(30)31)17-14-27-12-15-28(16-13-27)21-9-8-20-10-11-26(3)24(20)18-21/h4-11,18H,1,12-17H2,2-3H3
InChIKeyFKOFFLPSDAGWMR-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 51038934) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID51038934
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCN2CCN(c3ccc4ccn(C)c4c3)CC2)c2ccccc21
InChIInChI=1S/C25H29N5O/c1-19(2)30-23-7-5-4-6-22(23)29(25(30)31)17-14-27-12-15-28(16-13-27)21-9-8-20-10-11-26(3)24(20)18-21/h4-11,18H,1,12-17H2,2-3H3
InChIKeyFKOFFLPSDAGWMR-UHFFFAOYSA-N
XLogP3.61
TPSA38.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 51038934) is 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(CCN2CCN(c3ccc4ccn(C)c4c3)CC2)c2ccccc21.
What is the InChIKey of 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is FKOFFLPSDAGWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19(2)30-23-7-5-4-6-22(23)29(25(30)31)17-14-27-12-15-28(16-13-27)21-9-8-20-10-11-26(3)24(20)18-21/h4-11,18H,1,12-17H2,2-3H3.
What are the key properties of 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 415.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-methylindol-6-yl)piperazin-1-yl]ethyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 51038934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).