N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide

C24H23N3O2 — CID 2718165

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1
InChIInChI=1S/C24H23N3O2/c1-3-14-29-19-12-10-17(11-13-19)24(28)27-22-15-18(9-8-16(22)2)23-25-20-6-4-5-7-21(20)26-23/h4-13,15H,3,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRWOIJKCUXBGHFX-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.58
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide (PubChem CID 2718165) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
PubChem CID2718165
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1
InChIInChI=1S/C24H23N3O2/c1-3-14-29-19-12-10-17(11-13-19)24(28)27-22-15-18(9-8-16(22)2)23-25-20-6-4-5-7-21(20)26-23/h4-13,15H,3,14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRWOIJKCUXBGHFX-UHFFFAOYSA-N
XLogP5.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pimobendan
CID 4823
N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25253713
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
Mchb-1
CID 44561533
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
3-({[4-({2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-6-yl}oxy)phenyl]carbamoyl}amino)benzoic acid
CID 10276395
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide (CID 2718165) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide?
The InChIKey is RWOIJKCUXBGHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-14-29-19-12-10-17(11-13-19)24(28)27-22-15-18(9-8-16(22)2)23-25-20-6-4-5-7-21(20)26-23/h4-13,15H,3,14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide has a molecular weight of 385.47 g/mol, XLogP of 5.58, 6 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]-4-propoxybenzamide is sourced from PubChem (CID 2718165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).