N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide

C26H21N3O — CID 1213552

IUPACN-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H21N3O/c1-16-12-14-21(20-8-4-3-7-19(16)20)26(30)27-18-13-11-17(2)22(15-18)25-28-23-9-5-6-10-24(23)29-25/h3-15H,1-2H3,(H,27,30)(H,28,29)
InChIKeySUOVBGCSJGKTRH-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.25
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide (PubChem CID 1213552) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
PubChem CID1213552
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H21N3O/c1-16-12-14-21(20-8-4-3-7-19(16)20)26(30)27-18-13-11-17(2)22(15-18)25-28-23-9-5-6-10-24(23)29-25/h3-15H,1-2H3,(H,27,30)(H,28,29)
InChIKeySUOVBGCSJGKTRH-UHFFFAOYSA-N
XLogP6.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 70967039
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17104338
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
CID 90031431
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
CID 1160309
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide (CID 1213552) is N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide is Cc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide?
The InChIKey is SUOVBGCSJGKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c1-16-12-14-21(20-8-4-3-7-19(16)20)26(30)27-18-13-11-17(2)22(15-18)25-28-23-9-5-6-10-24(23)29-25/h3-15H,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 6.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 1213552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).