N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide

C49H34N6O4 — CID 135479194

IUPACN-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(NC(=O)c5cccc6ccccc56)cc4)ccc3[nH]2)cc1)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C49H34N6O4/c56-46(33-17-23-36(24-18-33)51-48(58)41-13-5-9-30-7-1-3-11-39(30)41)50-35-21-15-32(16-22-35)45-54-43-28-27-38(29-44(43)55-45)53-47(57)34-19-25-37(26-20-34)52-49(59)42-14-6-10-31-8-2-4-12-40(31)42/h1-29H,(H,50,56)(H,51,58)(H,52,59)(H,53,57)(H,54,55)
InChIKeyLCQSIPGMILQWBX-UHFFFAOYSA-N
MW770.85 g/mol
LogP10.55
Rot. Bonds9

About N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide

N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide (PubChem CID 135479194) has the molecular formula C49H34N6O4 and a molecular weight of 770.85 g/mol. Its IUPAC name is N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide
PubChem CID135479194
Molecular FormulaC49H34N6O4
Molecular Weight770.85 g/mol
Exact Mass770.26
IUPAC NameN-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(NC(=O)c5cccc6ccccc56)cc4)ccc3[nH]2)cc1)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C49H34N6O4/c56-46(33-17-23-36(24-18-33)51-48(58)41-13-5-9-30-7-1-3-11-39(30)41)50-35-21-15-32(16-22-35)45-54-43-28-27-38(29-44(43)55-45)53-47(57)34-19-25-37(26-20-34)52-49(59)42-14-6-10-31-8-2-4-12-40(31)42/h1-29H,(H,50,56)(H,51,58)(H,52,59)(H,53,57)(H,54,55)
InChIKeyLCQSIPGMILQWBX-UHFFFAOYSA-N
XLogP10.55
TPSA145.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.85
LogP ≤ 510.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-phenylacetyl)amino]-N-[4-[5-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135991257
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
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]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-nitro-N-[4-[5-[2-[4-[(2-nitrobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135928290
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide (CID 135479194) is N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(NC(=O)c5cccc6ccccc56)cc4)ccc3[nH]2)cc1)c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is LCQSIPGMILQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N6O4/c56-46(33-17-23-36(24-18-33)51-48(58)41-13-5-9-30-7-1-3-11-39(30)41)50-35-21-15-32(16-22-35)45-54-43-28-27-38(29-44(43)55-45)53-47(57)34-19-25-37(26-20-34)52-49(59)42-14-6-10-31-8-2-4-12-40(31)42/h1-29H,(H,50,56)(H,51,58)(H,52,59)(H,53,57)(H,54,55).
What are the key properties of N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 770.85 g/mol, XLogP of 10.55, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[5-[[4-(naphthalene-1-carbonylamino)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 135479194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).