N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide

C21H24N4O3 — CID 53199853

IUPACN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O3/c1-4-7-18(22-19(26)15-11-10-14(28-3)12-13(15)2)20(27)25-21-23-16-8-5-6-9-17(16)24-21/h5-6,8-12,18H,4,7H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNKEZLWRNRWWROO-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.42
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide

N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide (PubChem CID 53199853) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
PubChem CID53199853
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O3/c1-4-7-18(22-19(26)15-11-10-14(28-3)12-13(15)2)20(27)25-21-23-16-8-5-6-9-17(16)24-21/h5-6,8-12,18H,4,7H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNKEZLWRNRWWROO-UHFFFAOYSA-N
XLogP3.42
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
CID 53199846
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide (CID 53199853) is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide is CCCC(NC(=O)c1ccc(OC)cc1C)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide?
The InChIKey is NKEZLWRNRWWROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-7-18(22-19(26)15-11-10-14(28-3)12-13(15)2)20(27)25-21-23-16-8-5-6-9-17(16)24-21/h5-6,8-12,18H,4,7H2,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 53199853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).