N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide

C30H32N6O2 — CID 10413942

IUPACN-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2nc(-c3ccccc3-c3nc4ccc(NC(=O)C(C)(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C30H32N6O2/c1-29(2,3)27(37)31-17-11-13-21-23(15-17)35-25(33-21)19-9-7-8-10-20(19)26-34-22-14-12-18(16-24(22)36-26)32-28(38)30(4,5)6/h7-16H,1-6H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyFDFXUNYUOZYPJX-UHFFFAOYSA-N
MW508.63 g/mol
LogP6.74
Rot. Bonds4

About N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide

N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 10413942) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
PubChem CID10413942
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC NameN-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2nc(-c3ccccc3-c3nc4ccc(NC(=O)C(C)(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C30H32N6O2/c1-29(2,3)27(37)31-17-11-13-21-23(15-17)35-25(33-21)19-9-7-8-10-20(19)26-34-22-14-12-18(16-24(22)36-26)32-28(38)30(4,5)6/h7-16H,1-6H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyFDFXUNYUOZYPJX-UHFFFAOYSA-N
XLogP6.74
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 56.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide
CID 174278444
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
N-[2-[2-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 4575685
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
N-[4-hydroxy-3-[6-(2-methylprop-2-enoylamino)-1H-benzimidazol-2-yl]phenyl]-2-methylprop-2-enamide
CID 3091491
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide (CID 10413942) is N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2nc(-c3ccccc3-c3nc4ccc(NC(=O)C(C)(C)C)cc4[nH]3)[nH]c2c1.
What is the InChIKey of N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is FDFXUNYUOZYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-29(2,3)27(37)31-17-11-13-21-23(15-17)35-25(33-21)19-9-7-8-10-20(19)26-34-22-14-12-18(16-24(22)36-26)32-28(38)30(4,5)6/h7-16H,1-6H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36).
What are the key properties of N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide?
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 508.63 g/mol, XLogP of 6.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10413942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).