N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide

C30H24N4O3 — CID 17372812

IUPACN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C30H24N4O3/c1-2-27(35)31-23-15-10-21(11-16-23)30(37)32-24-13-8-20(9-14-24)29-33-25-17-12-22(18-26(25)34-29)28(36)19-6-4-3-5-7-19/h3-18H,2H2,1H3,(H,31,35)(H,32,37)(H,33,34)
InChIKeyLCASWAFFLFYKGA-UHFFFAOYSA-N
MW488.55 g/mol
LogP6.06
Rot. Bonds7

About N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide

N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide (PubChem CID 17372812) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
PubChem CID17372812
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C30H24N4O3/c1-2-27(35)31-23-15-10-21(11-16-23)30(37)32-24-13-8-20(9-14-24)29-33-25-17-12-22(18-26(25)34-29)28(36)19-6-4-3-5-7-19/h3-18H,2H2,1H3,(H,31,35)(H,32,37)(H,33,34)
InChIKeyLCASWAFFLFYKGA-UHFFFAOYSA-N
XLogP6.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 1231005
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
4-[(2-phenylacetyl)amino]-N-[4-[5-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135991257
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide (CID 17372812) is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide?
The InChIKey is LCASWAFFLFYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-2-27(35)31-23-15-10-21(11-16-23)30(37)32-24-13-8-20(9-14-24)29-33-25-17-12-22(18-26(25)34-29)28(36)19-6-4-3-5-7-19/h3-18H,2H2,1H3,(H,31,35)(H,32,37)(H,33,34).
What are the key properties of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide?
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide has a molecular weight of 488.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 17372812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).