ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C31H30N4O2 — CID 142812938

IUPACethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC.Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccc(C)c5)cc4[nH]3)cc2)c1
InChIInChI=1S/C29H24N4O2.C2H6/c1-18-5-3-7-21(15-18)28(34)30-23-11-9-20(10-12-23)27-32-25-14-13-24(17-26(25)33-27)31-29(35)22-8-4-6-19(2)16-22;1-2/h3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-2H3
InChIKeyGZJFDXLZKKBJJG-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.38
Rot. Bonds5

About ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 142812938) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Nameethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID142812938
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Nameethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC.Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccc(C)c5)cc4[nH]3)cc2)c1
InChIInChI=1S/C29H24N4O2.C2H6/c1-18-5-3-7-21(15-18)28(34)30-23-11-9-20(10-12-23)27-32-25-14-13-24(17-26(25)33-27)31-29(35)22-8-4-6-19(2)16-22;1-2/h3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-2H3
InChIKeyGZJFDXLZKKBJJG-UHFFFAOYSA-N
XLogP7.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
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
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
4-[[2-(4-methylphenyl)-3H-benzimidazole-5-carbonyl]amino]benzoyl azide
CID 142169440
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
CID 54857921

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 142812938) is ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is CC.Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccc(C)c5)cc4[nH]3)cc2)c1.
What is the InChIKey of ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is GZJFDXLZKKBJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2.C2H6/c1-18-5-3-7-21(15-18)28(34)30-23-11-9-20(10-12-23)27-32-25-14-13-24(17-26(25)33-27)31-29(35)22-8-4-6-19(2)16-22;1-2/h3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-2H3.
What are the key properties of ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 490.61 g/mol, XLogP of 7.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 142812938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).