N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C19H21N5O2 — CID 77086927

IUPACN-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C19H21N5O2/c1-4-24(12-18-20-13(2)26-22-18)11-14-9-10-17(25-14)19-21-15-7-5-6-8-16(15)23(19)3/h5-10H,4,11-12H2,1-3H3
InChIKeyZQJOGADKJJZTND-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.55
Rot. Bonds6

About N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 77086927) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID77086927
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C19H21N5O2/c1-4-24(12-18-20-13(2)26-22-18)11-14-9-10-17(25-14)19-21-15-7-5-6-8-16(15)23(19)3/h5-10H,4,11-12H2,1-3H3
InChIKeyZQJOGADKJJZTND-UHFFFAOYSA-N
XLogP3.55
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
CID 665081
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 74247763
2-[5-(4-isocyanophenyl)furan-2-yl]-1-methylbenzimidazole
CID 164723785
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719056
1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 56868374
2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile
CID 86774557
N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
CID 24838920
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56710024
5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47146324
(2S)-2-[4-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]triazol-1-yl]butanoic acid
CID 72916777
3-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]ethyl]-1,3-benzoxazol-2-one
CID 56708108
2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72881161

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 77086927) is N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCN(Cc1noc(C)n1)Cc1ccc(-c2nc3ccccc3n2C)o1.
What is the InChIKey of N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is ZQJOGADKJJZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-24(12-18-20-13(2)26-22-18)11-14-9-10-17(25-14)19-21-15-7-5-6-8-16(15)23(19)3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 351.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 77086927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).