N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide

C19H21N3O — CID 17296295

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C19H21N3O/c1-4-12(2)19(23)22-17-11-14(10-9-13(17)3)18-20-15-7-5-6-8-16(15)21-18/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWTCJJCJQBMWSBR-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.52
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide (PubChem CID 17296295) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
PubChem CID17296295
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C19H21N3O/c1-4-12(2)19(23)22-17-11-14(10-9-13(17)3)18-20-15-7-5-6-8-16(15)21-18/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWTCJJCJQBMWSBR-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
CID 3916771
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 1213621
(E)-N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17104304
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide (CID 17296295) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide?
The InChIKey is WTCJJCJQBMWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-12(2)19(23)22-17-11-14(10-9-13(17)3)18-20-15-7-5-6-8-16(15)21-18/h5-12H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide has a molecular weight of 307.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide is sourced from PubChem (CID 17296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).