1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine

C14H20N4 — CID 115257071

IUPAC1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
SMILESCN(CCc1ccc2nc[nH]c2c1)CC1(N)CC1
InChIInChI=1S/C14H20N4/c1-18(9-14(15)5-6-14)7-4-11-2-3-12-13(8-11)17-10-16-12/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyLQSGXXGFZDOQGJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.53
Rot. Bonds5

About 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine

1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine (PubChem CID 115257071) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
PubChem CID115257071
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
SMILESCN(CCc1ccc2nc[nH]c2c1)CC1(N)CC1
InChIInChI=1S/C14H20N4/c1-18(9-14(15)5-6-14)7-4-11-2-3-12-13(8-11)17-10-16-12/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyLQSGXXGFZDOQGJ-UHFFFAOYSA-N
XLogP1.53
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
CID 115257069
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
1-[[methyl(2-phenylethyl)amino]methyl]cyclopropan-1-amine
CID 65487507
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
CID 115257043
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine (CID 115257071) is 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine is CN(CCc1ccc2nc[nH]c2c1)CC1(N)CC1.
What is the InChIKey of 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine?
The InChIKey is LQSGXXGFZDOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18(9-14(15)5-6-14)7-4-11-2-3-12-13(8-11)17-10-16-12/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine?
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).