N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide

C23H24N4O2 — CID 167130281

IUPACN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C23H24N4O2/c1-14-12-19(16(3)27(14)15(2)17-8-6-5-7-9-17)22(28)26-23-24-20-11-10-18(29-4)13-21(20)25-23/h5-13,15H,1-4H3,(H2,24,25,26,28)/t15-/m0/s1
InChIKeyAIPBURYXGGUNJY-HNNXBMFYSA-N
MW388.47 g/mol
LogP4.85
Rot. Bonds5

About N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide

N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide (PubChem CID 167130281) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
PubChem CID167130281
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)[nH]c2c1
InChIInChI=1S/C23H24N4O2/c1-14-12-19(16(3)27(14)15(2)17-8-6-5-7-9-17)22(28)26-23-24-20-11-10-18(29-4)13-21(20)25-23/h5-13,15H,1-4H3,(H2,24,25,26,28)/t15-/m0/s1
InChIKeyAIPBURYXGGUNJY-HNNXBMFYSA-N
XLogP4.85
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

1-(3-carbamoyl-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 166058672
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
CID 167130276
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 71855695
N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
CID 31851493
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 27649329
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 16504554

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide?
The IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide (CID 167130281) is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide is COc1ccc2nc(NC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)[nH]c2c1.
What is the InChIKey of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide?
The InChIKey is AIPBURYXGGUNJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-12-19(16(3)27(14)15(2)17-8-6-5-7-9-17)22(28)26-23-24-20-11-10-18(29-4)13-21(20)25-23/h5-13,15H,1-4H3,(H2,24,25,26,28)/t15-/m0/s1.
What are the key properties of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide?
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 167130281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).