1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide

C18H18N6O — CID 95306915

IUPAC1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc2n1C
InChIInChI=1S/C18H18N6O/c1-11(17-22-21-16-6-4-5-9-24(16)17)19-18(25)13-7-8-15-14(10-13)20-12(2)23(15)3/h4-11H,1-3H3,(H,19,25)/t11-/m1/s1
InChIKeyQEXCZCMHSHIMCT-LLVKDONJSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds3

About 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide

1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide (PubChem CID 95306915) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
PubChem CID95306915
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc2n1C
InChIInChI=1S/C18H18N6O/c1-11(17-22-21-16-6-4-5-9-24(16)17)19-18(25)13-7-8-15-14(10-13)20-12(2)23(15)3/h4-11H,1-3H3,(H,19,25)/t11-/m1/s1
InChIKeyQEXCZCMHSHIMCT-LLVKDONJSA-N
XLogP2.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
1-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-5-carboxamide
CID 71706210
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97265928
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 51248032
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 7693751

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide (CID 95306915) is 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide?
The InChIKey is QEXCZCMHSHIMCT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11(17-22-21-16-6-4-5-9-24(16)17)19-18(25)13-7-8-15-14(10-13)20-12(2)23(15)3/h4-11H,1-3H3,(H,19,25)/t11-/m1/s1.
What are the key properties of 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide?
1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 95306915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).