3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one

About 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one

3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 155272746) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name	3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
PubChem CID	155272746
Molecular Formula	C27H36N6O3
Molecular Weight	492.62 g/mol
Exact Mass	492.28
IUPAC Name	3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
SMILES	COCCNC1CCC(n2c(=O)[nH]c3cc(-c4cn5ncnc5c(OC)c4C)c(C(C)C)cc32)CC1
InChI	InChI=1S/C27H36N6O3/c1-16(2)20-13-24-23(12-21(20)22-14-32-26(29-15-30-32)25(36-5)17(22)3)31-27(34)33(24)19-8-6-18(7-9-19)28-10-11-35-4/h12-16,18-19,28H,6-11H2,1-5H3,(H,31,34)
InChIKey	OVMJKASGVHKCHB-UHFFFAOYSA-N
XLogP	4.20
TPSA	98.47 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The IUPAC name of 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one (CID 155272746) is 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one.

What is the SMILES notation for 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The canonical SMILES for 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one is COCCNC1CCC(n2c(=O)[nH]c3cc(-c4cn5ncnc5c(OC)c4C)c(C(C)C)cc32)CC1.

What is the InChIKey of 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

The InChIKey is OVMJKASGVHKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-16(2)20-13-24-23(12-21(20)22-14-32-26(29-15-30-32)25(36-5)17(22)3)31-27(34)33(24)19-8-6-18(7-9-19)28-10-11-35-4/h12-16,18-19,28H,6-11H2,1-5H3,(H,31,34).

What are the key properties of 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one?

3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 492.62 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 155272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).