N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

C21H23N5O3 — CID 7711248

IUPACN-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C21H23N5O3/c1-29-16-6-4-5-15(13-16)14-23-19(27)9-10-22-21(28)26-12-11-25-18-8-3-2-7-17(18)24-20(25)26/h2-8,13H,9-12,14H2,1H3,(H,22,28)(H,23,27)
InChIKeyAABCJBBNSYLDFX-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.28
Rot. Bonds6

About N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 7711248) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID7711248
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C21H23N5O3/c1-29-16-6-4-5-15(13-16)14-23-19(27)9-10-22-21(28)26-12-11-25-18-8-3-2-7-17(18)24-20(25)26/h2-8,13H,9-12,14H2,1H3,(H,22,28)(H,23,27)
InChIKeyAABCJBBNSYLDFX-UHFFFAOYSA-N
XLogP2.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711628
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78529305
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 7711248) is N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is COc1cccc(CNC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is AABCJBBNSYLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-29-16-6-4-5-15(13-16)14-23-19(27)9-10-22-21(28)26-12-11-25-18-8-3-2-7-17(18)24-20(25)26/h2-8,13H,9-12,14H2,1H3,(H,22,28)(H,23,27).
What are the key properties of N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 7711248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).