5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol

C30H31N5O2 — CID 135430397

IUPAC5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol
SMILESCCN1CCC(Nc2ccc3[nH]c(O)c(/C(=C4\N=c5ccc(OC)cc5=N4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C30H31N5O2/c1-3-35-15-13-20(14-16-35)31-21-9-11-24-23(17-21)28(30(36)34-24)27(19-7-5-4-6-8-19)29-32-25-12-10-22(37-2)18-26(25)33-29/h4-12,17-18,20,31,34,36H,3,13-16H2,1-2H3/b29-27+
InChIKeyLUIXJBOCADNSIP-ORIPQNMZSA-N
MW493.61 g/mol
LogP4.45
Rot. Bonds6

About 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol

5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol (PubChem CID 135430397) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol
PubChem CID135430397
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol
SMILESCCN1CCC(Nc2ccc3[nH]c(O)c(/C(=C4\N=c5ccc(OC)cc5=N4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C30H31N5O2/c1-3-35-15-13-20(14-16-35)31-21-9-11-24-23(17-21)28(30(36)34-24)27(19-7-5-4-6-8-19)29-32-25-12-10-22(37-2)18-26(25)33-29/h4-12,17-18,20,31,34,36H,3,13-16H2,1-2H3/b29-27+
InChIKeyLUIXJBOCADNSIP-ORIPQNMZSA-N
XLogP4.45
TPSA85.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol (CID 135430397) is 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol is CCN1CCC(Nc2ccc3[nH]c(O)c(/C(=C4\N=c5ccc(OC)cc5=N4)c4ccccc4)c3c2)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol?
The InChIKey is LUIXJBOCADNSIP-ORIPQNMZSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-3-35-15-13-20(14-16-35)31-21-9-11-24-23(17-21)28(30(36)34-24)27(19-7-5-4-6-8-19)29-32-25-12-10-22(37-2)18-26(25)33-29/h4-12,17-18,20,31,34,36H,3,13-16H2,1-2H3/b29-27+.
What are the key properties of 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol?
5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol has a molecular weight of 493.61 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)amino]-3-[(E)-(5-methoxybenzimidazol-2-ylidene)-phenylmethyl]-1H-indol-2-ol is sourced from PubChem (CID 135430397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).