N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine

C15H16N4O2 — CID 14456519

IUPACN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCOc1cc2nc(CNc3ccncc3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-7-11-12(8-14(13)21-2)19-15(18-11)9-17-10-3-5-16-6-4-10/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKKESEYJPINGEDR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.59
Rot. Bonds5

About N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine

N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine (PubChem CID 14456519) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
PubChem CID14456519
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCOc1cc2nc(CNc3ccncc3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-7-11-12(8-14(13)21-2)19-15(18-11)9-17-10-3-5-16-6-4-10/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKKESEYJPINGEDR-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-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
CID 62504109
1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64671048
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine (CID 14456519) is N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine is COc1cc2nc(CNc3ccncc3)[nH]c2cc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine?
The InChIKey is KKESEYJPINGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-7-11-12(8-14(13)21-2)19-15(18-11)9-17-10-3-5-16-6-4-10/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine?
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-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 N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 14456519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).