N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C20H17N5O2 — CID 154840518

IUPACN-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccnc(-c2cccc(NC(=O)Cc3ccc4[nH]c(=O)[nH]c4c3)c2)n1
InChIInChI=1S/C20H17N5O2/c1-12-7-8-21-19(22-12)14-3-2-4-15(11-14)23-18(26)10-13-5-6-16-17(9-13)25-20(27)24-16/h2-9,11H,10H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyGUPNUMGPHSZUCU-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.80
Rot. Bonds4

About N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 154840518) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID154840518
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccnc(-c2cccc(NC(=O)Cc3ccc4[nH]c(=O)[nH]c4c3)c2)n1
InChIInChI=1S/C20H17N5O2/c1-12-7-8-21-19(22-12)14-3-2-4-15(11-14)23-18(26)10-13-5-6-16-17(9-13)25-20(27)24-16/h2-9,11H,10H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyGUPNUMGPHSZUCU-UHFFFAOYSA-N
XLogP2.80
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
4-(aminomethyl)-N-[3-(4-methylpyrimidin-2-yl)phenyl]oxane-4-carboxamide
CID 120933382
1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
CID 166208148
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772225
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 154840518) is N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is Cc1ccnc(-c2cccc(NC(=O)Cc3ccc4[nH]c(=O)[nH]c4c3)c2)n1.
What is the InChIKey of N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is GUPNUMGPHSZUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-7-8-21-19(22-12)14-3-2-4-15(11-14)23-18(26)10-13-5-6-16-17(9-13)25-20(27)24-16/h2-9,11H,10H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 154840518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).