N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide

C26H24N4O2 — CID 110205630

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc2ccccc21
InChIInChI=1S/C26H24N4O2/c1-32-16-15-30-22-14-8-5-11-19(22)17-23(30)26(31)29-24(18-9-3-2-4-10-18)25-27-20-12-6-7-13-21(20)28-25/h2-14,17,24H,15-16H2,1H3,(H,27,28)(H,29,31)/t24-/m0/s1
InChIKeySOIWDXMTWJTPQW-DEOSSOPVSA-N
MW424.50 g/mol
LogP4.68
Rot. Bonds7

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 110205630) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
PubChem CID110205630
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc2ccccc21
InChIInChI=1S/C26H24N4O2/c1-32-16-15-30-22-14-8-5-11-19(22)17-23(30)26(31)29-24(18-9-3-2-4-10-18)25-27-20-12-6-7-13-21(20)28-25/h2-14,17,24H,15-16H2,1H3,(H,27,28)(H,29,31)/t24-/m0/s1
InChIKeySOIWDXMTWJTPQW-DEOSSOPVSA-N
XLogP4.68
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide (CID 110205630) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide is COCCn1c(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc2ccccc21.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is SOIWDXMTWJTPQW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-16-15-30-22-14-8-5-11-19(22)17-23(30)26(31)29-24(18-9-3-2-4-10-18)25-27-20-12-6-7-13-21(20)28-25/h2-14,17,24H,15-16H2,1H3,(H,27,28)(H,29,31)/t24-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 110205630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).