N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide

C18H20N4O — CID 110765803

IUPACN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CCc3ccncc3)ccc2n1C
InChIInChI=1S/C18H20N4O/c1-13-20-16-12-15(4-5-17(16)22(13)3)18(23)21(2)11-8-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyXPLKNPHRUSVMHC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.59
Rot. Bonds4

About N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide

N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide (PubChem CID 110765803) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
PubChem CID110765803
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CCc3ccncc3)ccc2n1C
InChIInChI=1S/C18H20N4O/c1-13-20-16-12-15(4-5-17(16)22(13)3)18(23)21(2)11-8-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyXPLKNPHRUSVMHC-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765720
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 113204375
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765642

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide (CID 110765803) is N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)CCc3ccncc3)ccc2n1C.
What is the InChIKey of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is XPLKNPHRUSVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-20-16-12-15(4-5-17(16)22(13)3)18(23)21(2)11-8-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3.
What are the key properties of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110765803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).