(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide

C21H23N5O2 — CID 51584725

IUPAC(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)[C@@H](C)n1c(C)nc3ccccc31)n(C)c(=O)n2C
InChIInChI=1S/C21H23N5O2/c1-12-10-18-19(25(5)21(28)24(18)4)11-16(12)23-20(27)13(2)26-14(3)22-15-8-6-7-9-17(15)26/h6-11,13H,1-5H3,(H,23,27)/t13-/m1/s1
InChIKeyYXTRJBIVMOZLAN-CYBMUJFWSA-N
MW377.45 g/mol
LogP3.04
Rot. Bonds3

About (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide

(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide (PubChem CID 51584725) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
PubChem CID51584725
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)[C@@H](C)n1c(C)nc3ccccc31)n(C)c(=O)n2C
InChIInChI=1S/C21H23N5O2/c1-12-10-18-19(25(5)21(28)24(18)4)11-16(12)23-20(27)13(2)26-14(3)22-15-8-6-7-9-17(15)26/h6-11,13H,1-5H3,(H,23,27)/t13-/m1/s1
InChIKeyYXTRJBIVMOZLAN-CYBMUJFWSA-N
XLogP3.04
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95081159
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
CID 50747281
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3757026
(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
(2R)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 92736202

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide (CID 51584725) is (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide is Cc1cc2c(cc1NC(=O)[C@@H](C)n1c(C)nc3ccccc31)n(C)c(=O)n2C.
What is the InChIKey of (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
The InChIKey is YXTRJBIVMOZLAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-10-18-19(25(5)21(28)24(18)4)11-16(12)23-20(27)13(2)26-14(3)22-15-8-6-7-9-17(15)26/h6-11,13H,1-5H3,(H,23,27)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide?
(2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylbenzimidazol-1-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 51584725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).