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

C12H13N5O — CID 103868134

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1nc(CCNc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H13N5O/c1-8-14-11(17-18-8)6-7-13-12-15-9-4-2-3-5-10(9)16-12/h2-5H,6-7H2,1H3,(H2,13,15,16)
InChIKeyKLJZDEIYKPDAJN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.91
Rot. Bonds4

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 103868134) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID103868134
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1nc(CCNc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H13N5O/c1-8-14-11(17-18-8)6-7-13-12-15-9-4-2-3-5-10(9)16-12/h2-5H,6-7H2,1H3,(H2,13,15,16)
InChIKeyKLJZDEIYKPDAJN-UHFFFAOYSA-N
XLogP1.91
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 133410346
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55141811
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine (CID 103868134) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine is Cc1nc(CCNc2nc3ccccc3[nH]2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is KLJZDEIYKPDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-14-11(17-18-8)6-7-13-12-15-9-4-2-3-5-10(9)16-12/h2-5H,6-7H2,1H3,(H2,13,15,16).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103868134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).