N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

C25H27N3O4 — CID 42924068

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(c3nc4ccccc4[nH]3)C(C)C)c(=O)oc2c1
InChIInChI=1S/C25H27N3O4/c1-14(2)23(24-26-19-7-5-6-8-20(19)27-24)28-22(29)12-11-18-15(3)17-10-9-16(31-4)13-21(17)32-25(18)30/h5-10,13-14,23H,11-12H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyGKQZUISDXRLFIP-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 42924068) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID42924068
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(c3nc4ccccc4[nH]3)C(C)C)c(=O)oc2c1
InChIInChI=1S/C25H27N3O4/c1-14(2)23(24-26-19-7-5-6-8-20(19)27-24)28-22(29)12-11-18-15(3)17-10-9-16(31-4)13-21(17)32-25(18)30/h5-10,13-14,23H,11-12H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyGKQZUISDXRLFIP-UHFFFAOYSA-N
XLogP4.43
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-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-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
(2R)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate
CID 7086444
N-(1H-benzimidazol-2-ylmethyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 18105229
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55939785
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 46554584
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 42924068) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is COc1ccc2c(C)c(CCC(=O)NC(c3nc4ccccc4[nH]3)C(C)C)c(=O)oc2c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is GKQZUISDXRLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-14(2)23(24-26-19-7-5-6-8-20(19)27-24)28-22(29)12-11-18-15(3)17-10-9-16(31-4)13-21(17)32-25(18)30/h5-10,13-14,23H,11-12H2,1-4H3,(H,26,27)(H,28,29).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 42924068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).