1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile

C15H18N4 — CID 116943729

IUPAC1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
SMILESCc1nc2cc(C(N)C3(C#N)CCC3)ccc2n1C
InChIInChI=1S/C15H18N4/c1-10-18-12-8-11(4-5-13(12)19(10)2)14(17)15(9-16)6-3-7-15/h4-5,8,14H,3,6-7,17H2,1-2H3
InChIKeyXOUMJXQRASWGBB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.58
Rot. Bonds2

About 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile

1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116943729) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID116943729
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
SMILESCc1nc2cc(C(N)C3(C#N)CCC3)ccc2n1C
InChIInChI=1S/C15H18N4/c1-10-18-12-8-11(4-5-13(12)19(10)2)14(17)15(9-16)6-3-7-15/h4-5,8,14H,3,6-7,17H2,1-2H3
InChIKeyXOUMJXQRASWGBB-UHFFFAOYSA-N
XLogP2.58
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile (CID 116943729) is 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile is Cc1nc2cc(C(N)C3(C#N)CCC3)ccc2n1C.
What is the InChIKey of 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is XOUMJXQRASWGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-18-12-8-11(4-5-13(12)19(10)2)14(17)15(9-16)6-3-7-15/h4-5,8,14H,3,6-7,17H2,1-2H3.
What are the key properties of 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile?
1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116943729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).