3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol

C29H29N5O — CID 135405015

IUPAC3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol
SMILESCCN1CCC(Nc2ccc3[nH]c(O)c(C(=C4N=c5ccccc5=N4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30,33,35H,2,14-17H2,1H3
InChIKeyZETFSNZDKRMIEX-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.44
Rot. Bonds5

About 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol

3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol (PubChem CID 135405015) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol
PubChem CID135405015
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol
SMILESCCN1CCC(Nc2ccc3[nH]c(O)c(C(=C4N=c5ccccc5=N4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30,33,35H,2,14-17H2,1H3
InChIKeyZETFSNZDKRMIEX-UHFFFAOYSA-N
XLogP4.44
TPSA76.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol?
The IUPAC name of 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol (CID 135405015) is 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol.
What is the SMILES notation for 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol?
The canonical SMILES for 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol is CCN1CCC(Nc2ccc3[nH]c(O)c(C(=C4N=c5ccccc5=N4)c4ccccc4)c3c2)CC1.
What is the InChIKey of 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol?
The InChIKey is ZETFSNZDKRMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30,33,35H,2,14-17H2,1H3.
What are the key properties of 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol?
3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol has a molecular weight of 463.59 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzimidazol-2-ylidene(phenyl)methyl]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-ol is sourced from PubChem (CID 135405015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).