2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine

C14H16N6 — CID 62741938

IUPAC2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
SMILESCc1[nH]cnc1CNc1cccnc1-n1ccnc1C
InChIInChI=1S/C14H16N6/c1-10-13(19-9-18-10)8-17-12-4-3-5-16-14(12)20-7-6-15-11(20)2/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyBBGPEOKOHZPMSM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine

2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine (PubChem CID 62741938) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
PubChem CID62741938
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine
SMILESCc1[nH]cnc1CNc1cccnc1-n1ccnc1C
InChIInChI=1S/C14H16N6/c1-10-13(19-9-18-10)8-17-12-4-3-5-16-14(12)20-7-6-15-11(20)2/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyBBGPEOKOHZPMSM-UHFFFAOYSA-N
XLogP2.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine (CID 62741938) is 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine is Cc1[nH]cnc1CNc1cccnc1-n1ccnc1C.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is BBGPEOKOHZPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-13(19-9-18-10)8-17-12-4-3-5-16-14(12)20-7-6-15-11(20)2/h3-7,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine?
2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 268.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 62741938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).