[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine

C16H23N3 — CID 82946428

IUPAC[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
SMILESCc1cc(C)c2nc(C3(CN)CCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)14-13(9-11)18-15(19-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyULXYRLRMWVAOTC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds2

About [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine

[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 82946428) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID82946428
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
SMILESCc1cc(C)c2nc(C3(CN)CCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)14-13(9-11)18-15(19-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyULXYRLRMWVAOTC-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine (CID 82946428) is [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine is Cc1cc(C)c2nc(C3(CN)CCCCC3)[nH]c2c1.
What is the InChIKey of [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is ULXYRLRMWVAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-12(2)14-13(9-11)18-15(19-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19).
What are the key properties of [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine?
[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82946428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).