N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

C20H21N5O3 — CID 7711628

IUPACN-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C20H21N5O3/c1-13(18(26)22-14-6-5-7-15(12-14)28-2)21-20(27)25-11-10-24-17-9-4-3-8-16(17)23-19(24)25/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyJELXKTWDVJAVHQ-ZDUSSCGKSA-N
MW379.42 g/mol
LogP2.60
Rot. Bonds4

About N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 7711628) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID7711628
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C20H21N5O3/c1-13(18(26)22-14-6-5-7-15(12-14)28-2)21-20(27)25-11-10-24-17-9-4-3-8-16(17)23-19(24)25/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyJELXKTWDVJAVHQ-ZDUSSCGKSA-N
XLogP2.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78595450
N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711248
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 95395014
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78529305
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 41263728
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382930
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 7711628) is N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)c1.
What is the InChIKey of N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is JELXKTWDVJAVHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13(18(26)22-14-6-5-7-15(12-14)28-2)21-20(27)25-11-10-24-17-9-4-3-8-16(17)23-19(24)25/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 7711628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).