5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine

C15H16N4O2 — CID 82563006

IUPAC5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(NCc3cccnc3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)17-9-10-4-3-5-16-8-10/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyZEOCTCYWNIJIIS-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.59
Rot. Bonds5

About 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine

5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 82563006) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID82563006
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(NCc3cccnc3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)17-9-10-4-3-5-16-8-10/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyZEOCTCYWNIJIIS-UHFFFAOYSA-N
XLogP2.59
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564527
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606829
N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3H-benzimidazol-5-amine
CID 591998
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine (CID 82563006) is 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine is COc1cc2nc(NCc3cccnc3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is ZEOCTCYWNIJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)17-9-10-4-3-5-16-8-10/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine?
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 284.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).