[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C24H26N4O2 — CID 24776346

IUPAC[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChIInChI=1S/C24H26N4O2/c1-3-23-26-20-6-4-5-7-22(20)28(23)17-10-12-27(13-11-17)24(29)21-15-16-14-18(30-2)8-9-19(16)25-21/h4-9,14-15,17,25H,3,10-13H2,1-2H3
InChIKeyVFINORKTHQRPLO-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.57
Rot. Bonds4

About [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 24776346) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID24776346
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChIInChI=1S/C24H26N4O2/c1-3-23-26-20-6-4-5-7-22(20)28(23)17-10-12-27(13-11-17)24(29)21-15-16-14-18(30-2)8-9-19(16)25-21/h4-9,14-15,17,25H,3,10-13H2,1-2H3
InChIKeyVFINORKTHQRPLO-UHFFFAOYSA-N
XLogP4.57
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 24776346) is [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1.
What is the InChIKey of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is VFINORKTHQRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-23-26-20-6-4-5-7-22(20)28(23)17-10-12-27(13-11-17)24(29)21-15-16-14-18(30-2)8-9-19(16)25-21/h4-9,14-15,17,25H,3,10-13H2,1-2H3.
What are the key properties of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).