N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide

C26H24N6O2 — CID 134083619

IUPACN-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
SMILESC=CCn1c(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)nc2ccc(OC)cc21
InChIInChI=1S/C26H24N6O2/c1-3-12-32-24-14-18(34-2)8-9-21(24)30-25(32)22(31-26(33)23-16-27-10-11-28-23)13-17-15-29-20-7-5-4-6-19(17)20/h3-11,14-16,22,29H,1,12-13H2,2H3,(H,31,33)
InChIKeyIFKSVVKGQIPDRM-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.22
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide

N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 134083619) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
PubChem CID134083619
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
SMILESC=CCn1c(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)nc2ccc(OC)cc21
InChIInChI=1S/C26H24N6O2/c1-3-12-32-24-14-18(34-2)8-9-21(24)30-25(32)22(31-26(33)23-16-27-10-11-28-23)13-17-15-29-20-7-5-4-6-19(17)20/h3-11,14-16,22,29H,1,12-13H2,2H3,(H,31,33)
InChIKeyIFKSVVKGQIPDRM-UHFFFAOYSA-N
XLogP4.22
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 68722519
N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide
CID 134083673
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 134083522
N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 134083490
N-[2-(1H-indol-3-yl)-1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134083679
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110218715
methyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 67285320
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 24777944
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]benzamide
CID 91160343
N-[2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-2-pyridin-2-ylacetamide
CID 68735925
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 68740263
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 67218406

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide (CID 134083619) is N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide is C=CCn1c(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)nc2ccc(OC)cc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is IFKSVVKGQIPDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-3-12-32-24-14-18(34-2)8-9-21(24)30-25(32)22(31-26(33)23-16-27-10-11-28-23)13-17-15-29-20-7-5-4-6-19(17)20/h3-11,14-16,22,29H,1,12-13H2,2H3,(H,31,33).
What are the key properties of N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 134083619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).