N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide

C19H19N5O3 — CID 1136428

IUPACN-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1
InChIInChI=1S/C19H19N5O3/c1-10(25)20-14-4-5-17-18(9-14)24-19(23-17)13-6-15(21-11(2)26)8-16(7-13)22-12(3)27/h4-9H,1-3H3,(H,20,25)(H,21,26)(H,22,27)(H,23,24)
InChIKeyGPLXYCQJIGCAFX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide

N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 1136428) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID1136428
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1
InChIInChI=1S/C19H19N5O3/c1-10(25)20-14-4-5-17-18(9-14)24-19(23-17)13-6-15(21-11(2)26)8-16(7-13)22-12(3)27/h4-9H,1-3H3,(H,20,25)(H,21,26)(H,22,27)(H,23,24)
InChIKeyGPLXYCQJIGCAFX-UHFFFAOYSA-N
XLogP3.11
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 157043527
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 142169213
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide (CID 1136428) is N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1.
What is the InChIKey of N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is GPLXYCQJIGCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-10(25)20-14-4-5-17-18(9-14)24-19(23-17)13-6-15(21-11(2)26)8-16(7-13)22-12(3)27/h4-9H,1-3H3,(H,20,25)(H,21,26)(H,22,27)(H,23,24).
What are the key properties of N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide?
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 1136428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).