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

C43H34N6O4 — CID 2832124

IUPAC4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(NC(=O)Cc6ccccc6)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C43H34N6O4/c50-39(25-28-7-3-1-4-8-28)44-33-19-13-31(14-20-33)42(52)46-35-17-11-30(12-18-35)41-48-37-24-23-36(27-38(37)49-41)47-43(53)32-15-21-34(22-16-32)45-40(51)26-29-9-5-2-6-10-29/h1-24,27H,25-26H2,(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,49)
InChIKeyTYTXSCZFWKGTEP-UHFFFAOYSA-N
MW698.78 g/mol
LogP8.10
Rot. Bonds11

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

4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 2832124) has the molecular formula C43H34N6O4 and a molecular weight of 698.78 g/mol. Its IUPAC name is 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID2832124
Molecular FormulaC43H34N6O4
Molecular Weight698.78 g/mol
Exact Mass698.26
IUPAC Name4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(NC(=O)Cc6ccccc6)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C43H34N6O4/c50-39(25-28-7-3-1-4-8-28)44-33-19-13-31(14-20-33)42(52)46-35-17-11-30(12-18-35)41-48-37-24-23-36(27-38(37)49-41)47-43(53)32-15-21-34(22-16-32)45-40(51)26-29-9-5-2-6-10-29/h1-24,27H,25-26H2,(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,49)
InChIKeyTYTXSCZFWKGTEP-UHFFFAOYSA-N
XLogP8.10
TPSA145.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.78
LogP ≤ 58.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
4-[(2-phenylacetyl)amino]-N-[4-[5-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135991257
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
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N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 2832124) is 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(NC(=O)Cc6ccccc6)cc5)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is TYTXSCZFWKGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N6O4/c50-39(25-28-7-3-1-4-8-28)44-33-19-13-31(14-20-33)42(52)46-35-17-11-30(12-18-35)41-48-37-24-23-36(27-38(37)49-41)47-43(53)32-15-21-34(22-16-32)45-40(51)26-29-9-5-2-6-10-29/h1-24,27H,25-26H2,(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,49).
What are the key properties of 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 698.78 g/mol, XLogP of 8.10, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 2832124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).