6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole

C28H23N5O2 — CID 138535081

IUPAC6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole
SMILESCOc1ccc2ncn(Cc3cccc(COc4ccc5ncn(-c6ccncc6)c5c4)c3)c2c1
InChIInChI=1S/C28H23N5O2/c1-34-23-5-7-25-27(14-23)32(18-30-25)16-20-3-2-4-21(13-20)17-35-24-6-8-26-28(15-24)33(19-31-26)22-9-11-29-12-10-22/h2-15,18-19H,16-17H2,1H3
InChIKeyLQWMBUACNCFUEY-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.41
Rot. Bonds7

About 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole

6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole (PubChem CID 138535081) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole
PubChem CID138535081
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole
SMILESCOc1ccc2ncn(Cc3cccc(COc4ccc5ncn(-c6ccncc6)c5c4)c3)c2c1
InChIInChI=1S/C28H23N5O2/c1-34-23-5-7-25-27(14-23)32(18-30-25)16-20-3-2-4-21(13-20)17-35-24-6-8-26-28(15-24)33(19-31-26)22-9-11-29-12-10-22/h2-15,18-19H,16-17H2,1H3
InChIKeyLQWMBUACNCFUEY-UHFFFAOYSA-N
XLogP5.41
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-1-phenylbenzimidazole
CID 652633
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
1-benzyl-5-methoxybenzimidazole
CID 10900689
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
CID 11437815
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
6-ethoxy-1-ethylbenzimidazole
CID 54758751

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole?
The IUPAC name of 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole (CID 138535081) is 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole is COc1ccc2ncn(Cc3cccc(COc4ccc5ncn(-c6ccncc6)c5c4)c3)c2c1.
What is the InChIKey of 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole?
The InChIKey is LQWMBUACNCFUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-34-23-5-7-25-27(14-23)32(18-30-25)16-20-3-2-4-21(13-20)17-35-24-6-8-26-28(15-24)33(19-31-26)22-9-11-29-12-10-22/h2-15,18-19H,16-17H2,1H3.
What are the key properties of 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole?
6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole has a molecular weight of 461.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[[3-[(3-pyridin-4-ylbenzimidazol-5-yl)oxymethyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 138535081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).