4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol

C26H24N4O2 — CID 136723751

IUPAC4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2CC)=C(O)CN1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-29-22-11-7-6-10-21(22)28-26(29)24-23(31)16-30(25(24)27)19-12-14-20(15-13-19)32-17-18-8-4-3-5-9-18/h3-15,27,31H,2,16-17H2,1H3/b27-25-
InChIKeyOMNUWDYGOLQIND-RFBIWTDZSA-N
MW424.50 g/mol
LogP5.40
Rot. Bonds6

About 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol

4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol (PubChem CID 136723751) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
PubChem CID136723751
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2CC)=C(O)CN1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-29-22-11-7-6-10-21(22)28-26(29)24-23(31)16-30(25(24)27)19-12-14-20(15-13-19)32-17-18-8-4-3-5-9-18/h3-15,27,31H,2,16-17H2,1H3/b27-25-
InChIKeyOMNUWDYGOLQIND-RFBIWTDZSA-N
XLogP5.40
TPSA74.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
CID 136724179
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
CID 136723881
1-(4-chloro-2-methylphenyl)-4-(1-ethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136723810
4-(1-ethylbenzimidazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-imino-2H-pyrrol-3-ol
CID 136723717
4-(1-ethylbenzimidazol-2-yl)-5-imino-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-ol
CID 136723701
4-(1H-benzimidazol-2-yl)-5-imino-1-(4-propoxyphenyl)-2H-pyrrol-3-ol
CID 136724105
5-imino-1-(3-phenylmethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 136726022
5-imino-1-(3-phenylmethoxyphenyl)-4-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136726012
1-(4-bromophenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724370
ethyl 2-[4-[4-(1H-benzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]phenyl]acetate
CID 136724108
1-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
CID 136725188
4-(1H-benzimidazol-2-yl)-5-imino-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-3-ol
CID 135584870

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol (CID 136723751) is 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2CC)=C(O)CN1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol?
The InChIKey is OMNUWDYGOLQIND-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-2-29-22-11-7-6-10-21(22)28-26(29)24-23(31)16-30(25(24)27)19-12-14-20(15-13-19)32-17-18-8-4-3-5-9-18/h3-15,27,31H,2,16-17H2,1H3/b27-25-.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol?
4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol has a molecular weight of 424.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 136723751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).