N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine

C14H16N6 — CID 66191856

IUPACN-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2[nH]c(Cn3cc(CNC4CC4)nn3)nc2c1
InChIInChI=1S/C14H16N6/c1-2-4-13-12(3-1)16-14(17-13)9-20-8-11(18-19-20)7-15-10-5-6-10/h1-4,8,10,15H,5-7,9H2,(H,16,17)
InChIKeyDWFMYTKYGXFUQH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.45
Rot. Bonds5

About N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66191856) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66191856
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2[nH]c(Cn3cc(CNC4CC4)nn3)nc2c1
InChIInChI=1S/C14H16N6/c1-2-4-13-12(3-1)16-14(17-13)9-20-8-11(18-19-20)7-15-10-5-6-10/h1-4,8,10,15H,5-7,9H2,(H,16,17)
InChIKeyDWFMYTKYGXFUQH-UHFFFAOYSA-N
XLogP1.45
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
CID 62400589
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
CID 139019671
3-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]-1,1-dimethylurea
CID 154782280
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (CID 66191856) is N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine is c1ccc2[nH]c(Cn3cc(CNC4CC4)nn3)nc2c1.
What is the InChIKey of N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DWFMYTKYGXFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-4-13-12(3-1)16-14(17-13)9-20-8-11(18-19-20)7-15-10-5-6-10/h1-4,8,10,15H,5-7,9H2,(H,16,17).
What are the key properties of N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 268.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66191856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).