N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C21H21N5O2 — CID 86859930

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H21N5O2/c1-14-22-20(28-25-14)15-9-11-16(12-10-15)21(27)26(2)13-5-8-19-23-17-6-3-4-7-18(17)24-19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,24)
InChIKeyUUUXMDNEWBAQEP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 86859930) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID86859930
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H21N5O2/c1-14-22-20(28-25-14)15-9-11-16(12-10-15)21(27)26(2)13-5-8-19-23-17-6-3-4-7-18(17)24-19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,24)
InChIKeyUUUXMDNEWBAQEP-UHFFFAOYSA-N
XLogP3.63
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)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-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
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]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
CID 122158480
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 86859963
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
CID 55531278
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 86859930) is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is UUUXMDNEWBAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-22-20(28-25-14)15-9-11-16(12-10-15)21(27)26(2)13-5-8-19-23-17-6-3-4-7-18(17)24-19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 86859930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).