N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

C22H26N4O3 — CID 42919415

IUPACN-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCc1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C22H26N4O3/c1-14(2)20(26-21(27)15-8-4-7-11-18(15)29-3)22(28)23-13-12-19-24-16-9-5-6-10-17(16)25-19/h4-11,14,20H,12-13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyVNHWDOJKBBCFFH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.68
Rot. Bonds8

About N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 42919415) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID42919415
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCc1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C22H26N4O3/c1-14(2)20(26-21(27)15-8-4-7-11-18(15)29-3)22(28)23-13-12-19-24-16-9-5-6-10-17(16)25-19/h4-11,14,20H,12-13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyVNHWDOJKBBCFFH-UHFFFAOYSA-N
XLogP2.68
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 17449230
N-[(2S)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25339429
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437898
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 42919415) is N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C(=O)NCCc1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is VNHWDOJKBBCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)20(26-21(27)15-8-4-7-11-18(15)29-3)22(28)23-13-12-19-24-16-9-5-6-10-17(16)25-19/h4-11,14,20H,12-13H2,1-3H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 42919415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).