N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide

C21H19N5O3 — CID 146024032

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3nc4ccccc4[nH]3)nc(=O)n2C)cc1
InChIInChI=1S/C21H19N5O3/c1-26-18(13-7-9-14(29-2)10-8-13)11-17(25-21(26)28)20(27)22-12-19-23-15-5-3-4-6-16(15)24-19/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyNJIFNYCUSPAABN-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.26
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide (PubChem CID 146024032) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
PubChem CID146024032
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3nc4ccccc4[nH]3)nc(=O)n2C)cc1
InChIInChI=1S/C21H19N5O3/c1-26-18(13-7-9-14(29-2)10-8-13)11-17(25-21(26)28)20(27)22-12-19-23-15-5-3-4-6-16(15)24-19/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyNJIFNYCUSPAABN-UHFFFAOYSA-N
XLogP2.26
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 18105049
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide (CID 146024032) is N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3nc4ccccc4[nH]3)nc(=O)n2C)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide?
The InChIKey is NJIFNYCUSPAABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-26-18(13-7-9-14(29-2)10-8-13)11-17(25-21(26)28)20(27)22-12-19-23-15-5-3-4-6-16(15)24-19/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 146024032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).