N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

C17H20N6O — CID 154785189

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)CCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O/c1-11-10-14(22-17(18-2)19-11)16(24)23(3)9-8-15-20-12-6-4-5-7-13(12)21-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyOQLASGJVJCEZTG-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 154785189) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID154785189
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)CCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O/c1-11-10-14(22-17(18-2)19-11)16(24)23(3)9-8-15-20-12-6-4-5-7-13(12)21-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyOQLASGJVJCEZTG-UHFFFAOYSA-N
XLogP2.02
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
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CID 60988746
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
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N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 91829450
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 138020357
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (CID 154785189) is N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)N(C)CCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is OQLASGJVJCEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-10-14(22-17(18-2)19-11)16(24)23(3)9-8-15-20-12-6-4-5-7-13(12)21-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 154785189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).