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

C14H20N4 — CID 116914174

IUPAC1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1nc2ccc(C(N(C)C)C3(N)CC3)cc2[nH]1
InChIInChI=1S/C14H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)13(18(2)3)14(15)6-7-14/h4-5,8,13H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyYFVGYSPXROKYAC-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.97
Rot. Bonds3

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

1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 116914174) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
PubChem CID116914174
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1nc2ccc(C(N(C)C)C3(N)CC3)cc2[nH]1
InChIInChI=1S/C14H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)13(18(2)3)14(15)6-7-14/h4-5,8,13H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyYFVGYSPXROKYAC-UHFFFAOYSA-N
XLogP1.97
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine (CID 116914174) is 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine is Cc1nc2ccc(C(N(C)C)C3(N)CC3)cc2[nH]1.
What is the InChIKey of 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is YFVGYSPXROKYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)13(18(2)3)14(15)6-7-14/h4-5,8,13H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116914174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).