[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine

C14H20N4 — CID 116943582

IUPAC[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNCC1(C(N)c2ccc3nc(C)[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c1-9-17-11-4-3-10(7-12(11)18-9)13(15)14(5-6-14)8-16-2/h3-4,7,13,16H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyYJSLBWMEHXIUHE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.87
Rot. Bonds4

About [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine

[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 116943582) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID116943582
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNCC1(C(N)c2ccc3nc(C)[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c1-9-17-11-4-3-10(7-12(11)18-9)13(15)14(5-6-14)8-16-2/h3-4,7,13,16H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyYJSLBWMEHXIUHE-UHFFFAOYSA-N
XLogP1.87
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 116943582) is [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine is CNCC1(C(N)c2ccc3nc(C)[nH]c3c2)CC1.
What is the InChIKey of [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is YJSLBWMEHXIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-17-11-4-3-10(7-12(11)18-9)13(15)14(5-6-14)8-16-2/h3-4,7,13,16H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 244.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 116943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).