N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

C26H27N3O2 — CID 1213621

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C26H27N3O2/c1-17(2)13-14-31-21-8-6-7-20(15-21)26(30)29-24-16-19(12-11-18(24)3)25-27-22-9-4-5-10-23(22)28-25/h4-12,15-17H,13-14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyXFWSWKCQDNBMDJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.22
Rot. Bonds7

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide (PubChem CID 1213621) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
PubChem CID1213621
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C26H27N3O2/c1-17(2)13-14-31-21-8-6-7-20(15-21)26(30)29-24-16-19(12-11-18(24)3)25-27-22-9-4-5-10-23(22)28-25/h4-12,15-17H,13-14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyXFWSWKCQDNBMDJ-UHFFFAOYSA-N
XLogP6.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide 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-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 2864442
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2283414
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide (CID 1213621) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCCC(C)C)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide?
The InChIKey is XFWSWKCQDNBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17(2)13-14-31-21-8-6-7-20(15-21)26(30)29-24-16-19(12-11-18(24)3)25-27-22-9-4-5-10-23(22)28-25/h4-12,15-17H,13-14H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide has a molecular weight of 413.52 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 1213621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).