N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

C25H26N6O2 — CID 92619177

IUPACN-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)c2ccc3c(c2)nc(C)n3C)n1
InChIInChI=1S/C25H26N6O2/c1-16-27-15-20(25(33)28-14-18-7-5-4-6-8-18)21(29-16)11-12-26-24(32)19-9-10-23-22(13-19)30-17(2)31(23)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,26,32)(H,28,33)
InChIKeyRRMLJGSZPUAIHB-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 92619177) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID92619177
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)c2ccc3c(c2)nc(C)n3C)n1
InChIInChI=1S/C25H26N6O2/c1-16-27-15-20(25(33)28-14-18-7-5-4-6-8-18)21(29-16)11-12-26-24(32)19-9-10-23-22(13-19)30-17(2)31(23)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,26,32)(H,28,33)
InChIKeyRRMLJGSZPUAIHB-UHFFFAOYSA-N
XLogP2.88
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 47088894
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 92619177) is N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)c2ccc3c(c2)nc(C)n3C)n1.
What is the InChIKey of N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is RRMLJGSZPUAIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-27-15-20(25(33)28-14-18-7-5-4-6-8-18)21(29-16)11-12-26-24(32)19-9-10-23-22(13-19)30-17(2)31(23)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,26,32)(H,28,33).
What are the key properties of N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 92619177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).