N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

C21H23N3O2 — CID 96529378

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NC[C@@H]3COc4ccccc4C3)nc12
InChIInChI=1S/C21H23N3O2/c1-14-5-4-7-17-21(14)24-19(23-17)9-10-20(25)22-12-15-11-16-6-2-3-8-18(16)26-13-15/h2-8,15H,9-13H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyIINOCTQNYJISOW-OAHLLOKOSA-N
MW349.43 g/mol
LogP3.17
Rot. Bonds5

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 96529378) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
PubChem CID96529378
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NC[C@@H]3COc4ccccc4C3)nc12
InChIInChI=1S/C21H23N3O2/c1-14-5-4-7-17-21(14)24-19(23-17)9-10-20(25)22-12-15-11-16-6-2-3-8-18(16)26-13-15/h2-8,15H,9-13H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyIINOCTQNYJISOW-OAHLLOKOSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide 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-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 99992998
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 51212011
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 97154007
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide
CID 74247344
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51266892
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 55527335
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (CID 96529378) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3COc4ccccc4C3)nc12.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is IINOCTQNYJISOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-5-4-7-17-21(14)24-19(23-17)9-10-20(25)22-12-15-11-16-6-2-3-8-18(16)26-13-15/h2-8,15H,9-13H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 96529378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).