N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide

C21H24N4O2 — CID 51221826

IUPACN-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15(23-21(27)17-8-4-3-5-9-17)14-20(26)22-12-13-25-16(2)24-18-10-6-7-11-19(18)25/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQWZYKILLCMKWSR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.67
Rot. Bonds7

About N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide

N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 51221826) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
PubChem CID51221826
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15(23-21(27)17-8-4-3-5-9-17)14-20(26)22-12-13-25-16(2)24-18-10-6-7-11-19(18)25/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQWZYKILLCMKWSR-UHFFFAOYSA-N
XLogP2.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(3S)-3-[[(2S)-4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxo-4-sulfanylbutanoic acid
CID 53313340
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
CID 55340414
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104
1-butan-2-yl-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110944738

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide (CID 51221826) is N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide is Cc1nc2ccccc2n1CCNC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is QWZYKILLCMKWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(23-21(27)17-8-4-3-5-9-17)14-20(26)22-12-13-25-16(2)24-18-10-6-7-11-19(18)25/h3-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).