3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide

C21H19N5O — CID 127046319

IUPAC3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H19N5O/c1-26(2)21(27)14-7-5-6-13(10-14)15-11-16(19(22)23-12-15)20-24-17-8-3-4-9-18(17)25-20/h3-12H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyPCSNHSCJJFGAOB-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.58
Rot. Bonds3

About 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide

3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 127046319) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID127046319
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H19N5O/c1-26(2)21(27)14-7-5-6-13(10-14)15-11-16(19(22)23-12-15)20-24-17-8-3-4-9-18(17)25-20/h3-12H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyPCSNHSCJJFGAOB-UHFFFAOYSA-N
XLogP3.58
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide (CID 127046319) is 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is PCSNHSCJJFGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(2)21(27)14-7-5-6-13(10-14)15-11-16(19(22)23-12-15)20-24-17-8-3-4-9-18(17)25-20/h3-12H,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 357.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 127046319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).