N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide

C19H24N4O2 — CID 121239966

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1
InChIInChI=1S/C19H24N4O2/c1-13(2)11-17(23-9-5-6-10-23)18(24)20-14-7-8-15-16(12-14)22(4)19(25)21(15)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,24)
InChIKeyQTKQRQMUTCVBMJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 121239966) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID121239966
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1
InChIInChI=1S/C19H24N4O2/c1-13(2)11-17(23-9-5-6-10-23)18(24)20-14-7-8-15-16(12-14)22(4)19(25)21(15)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,24)
InChIKeyQTKQRQMUTCVBMJ-UHFFFAOYSA-N
XLogP2.90
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 49168885
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 49281031

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide (CID 121239966) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)CC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is QTKQRQMUTCVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)11-17(23-9-5-6-10-23)18(24)20-14-7-8-15-16(12-14)22(4)19(25)21(15)3/h5-10,12-13,17H,11H2,1-4H3,(H,20,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 340.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 121239966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).