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

C20H22N4O3 — CID 53199867

IUPACN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-3-6-17(21-18(25)13-9-11-14(27-2)12-10-13)19(26)24-20-22-15-7-4-5-8-16(15)23-20/h4-5,7-12,17H,3,6H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyRFXGLHBJTJPHSV-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.11
Rot. Bonds7

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

N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide (PubChem CID 53199867) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
PubChem CID53199867
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-3-6-17(21-18(25)13-9-11-14(27-2)12-10-13)19(26)24-20-22-15-7-4-5-8-16(15)23-20/h4-5,7-12,17H,3,6H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyRFXGLHBJTJPHSV-UHFFFAOYSA-N
XLogP3.11
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.11
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-methoxy-2-methylbenzamide
CID 53199853
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
CID 53199846
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-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6723713
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide (CID 53199867) is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide is CCCC(NC(=O)c1ccc(OC)cc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide?
The InChIKey is RFXGLHBJTJPHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-6-17(21-18(25)13-9-11-14(27-2)12-10-13)19(26)24-20-22-15-7-4-5-8-16(15)23-20/h4-5,7-12,17H,3,6H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide has a molecular weight of 366.42 g/mol, XLogP of 3.11, 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-methoxybenzamide is sourced from PubChem (CID 53199867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).