2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide

C17H24N4O2 — CID 127050565

IUPAC2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23)
InChIKeyJJSWBDODYQEHNP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide

2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide (PubChem CID 127050565) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
PubChem CID127050565
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23)
InChIKeyJJSWBDODYQEHNP-UHFFFAOYSA-N
XLogP1.37
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide (CID 127050565) is 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide is CNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The InChIKey is JJSWBDODYQEHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23).
What are the key properties of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 127050565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).