N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide

C26H27N3O3S — CID 167785502

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
SMILESCC1(C)CCc2cccc(S(=O)(=O)NCc3cccc(Cn4cnc5ccccc54)c3)c2O1
InChIInChI=1S/C26H27N3O3S/c1-26(2)14-13-21-9-6-12-24(25(21)32-26)33(30,31)28-16-19-7-5-8-20(15-19)17-29-18-27-22-10-3-4-11-23(22)29/h3-12,15,18,28H,13-14,16-17H2,1-2H3
InChIKeyYTHPWKIAPMVPRB-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.67
Rot. Bonds6

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide (PubChem CID 167785502) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
PubChem CID167785502
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
SMILESCC1(C)CCc2cccc(S(=O)(=O)NCc3cccc(Cn4cnc5ccccc54)c3)c2O1
InChIInChI=1S/C26H27N3O3S/c1-26(2)14-13-21-9-6-12-24(25(21)32-26)33(30,31)28-16-19-7-5-8-20(15-19)17-29-18-27-22-10-3-4-11-23(22)29/h3-12,15,18,28H,13-14,16-17H2,1-2H3
InChIKeyYTHPWKIAPMVPRB-UHFFFAOYSA-N
XLogP4.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide 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

1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862872
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
N-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 167881135
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide
CID 166200782
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide (CID 167785502) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide is CC1(C)CCc2cccc(S(=O)(=O)NCc3cccc(Cn4cnc5ccccc54)c3)c2O1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The InChIKey is YTHPWKIAPMVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-26(2)14-13-21-9-6-12-24(25(21)32-26)33(30,31)28-16-19-7-5-8-20(15-19)17-29-18-27-22-10-3-4-11-23(22)29/h3-12,15,18,28H,13-14,16-17H2,1-2H3.
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide has a molecular weight of 461.59 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide is sourced from PubChem (CID 167785502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).