acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

C26H24N4O4 — CID 138393444

IUPACacetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC(=O)O.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H20N4O2.C2H4O2/c29-23(16-4-2-1-3-5-16)25-18-10-8-15(9-11-18)22-27-20-13-12-19(14-21(20)28-22)26-24(30)17-6-7-17;1-2(3)4/h1-5,8-14,17H,6-7H2,(H,25,29)(H,26,30)(H,27,28);1H3,(H,3,4)
InChIKeyGDOWPFHLWGGHAZ-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.92
Rot. Bonds5

About acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 138393444) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Nameacetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID138393444
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Nameacetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC(=O)O.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H20N4O2.C2H4O2/c29-23(16-4-2-1-3-5-16)25-18-10-8-15(9-11-18)22-27-20-13-12-19(14-21(20)28-22)26-24(30)17-6-7-17;1-2(3)4/h1-5,8-14,17H,6-7H2,(H,25,29)(H,26,30)(H,27,28);1H3,(H,3,4)
InChIKeyGDOWPFHLWGGHAZ-UHFFFAOYSA-N
XLogP4.92
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 138393444) is acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is CC(=O)O.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is GDOWPFHLWGGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.C2H4O2/c29-23(16-4-2-1-3-5-16)25-18-10-8-15(9-11-18)22-27-20-13-12-19(14-21(20)28-22)26-24(30)17-6-7-17;1-2(3)4/h1-5,8-14,17H,6-7H2,(H,25,29)(H,26,30)(H,27,28);1H3,(H,3,4).
What are the key properties of acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 456.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 138393444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).