N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide

C18H19N3O — CID 134032779

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-13-8-10-14(11-9-13)18(22)19-12-4-7-17-20-15-5-2-3-6-16(15)21-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyIMPQORFIFWKMGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide (PubChem CID 134032779) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
PubChem CID134032779
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-13-8-10-14(11-9-13)18(22)19-12-4-7-17-20-15-5-2-3-6-16(15)21-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyIMPQORFIFWKMGW-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 17438166
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide (CID 134032779) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide?
The InChIKey is IMPQORFIFWKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-8-10-14(11-9-13)18(22)19-12-4-7-17-20-15-5-2-3-6-16(15)21-17/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.23, 5 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)propyl]-4-methylbenzamide is sourced from PubChem (CID 134032779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).