N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine

C20H21N7 — CID 22138631

IUPACN,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
SMILESCC(c1ccccn1)(c1ccccn1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C20H21N7/c1-20(16-6-2-4-8-21-16,17-7-3-5-9-22-17)27(14-18-23-10-11-24-18)15-19-25-12-13-26-19/h2-13H,14-15H2,1H3,(H,23,24)(H,25,26)
InChIKeyYRIMJGKNHJOEFO-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.89
Rot. Bonds7

About N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine

N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine (PubChem CID 22138631) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine.

Molecular Properties

Compound NameN,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
PubChem CID22138631
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
SMILESCC(c1ccccn1)(c1ccccn1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C20H21N7/c1-20(16-6-2-4-8-21-16,17-7-3-5-9-22-17)27(14-18-23-10-11-24-18)15-19-25-12-13-26-19/h2-13H,14-15H2,1H3,(H,23,24)(H,25,26)
InChIKeyYRIMJGKNHJOEFO-UHFFFAOYSA-N
XLogP2.89
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6603723
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CID 64519424
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine
CID 53326309
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
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CID 59708993
3-(chloromethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 114279758
N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 91213426

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine?
The IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine (CID 22138631) is N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine.
What is the SMILES notation for N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine?
The canonical SMILES for N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine is CC(c1ccccn1)(c1ccccn1)N(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine?
The InChIKey is YRIMJGKNHJOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-20(16-6-2-4-8-21-16,17-7-3-5-9-22-17)27(14-18-23-10-11-24-18)15-19-25-12-13-26-19/h2-13H,14-15H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine?
N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine has a molecular weight of 359.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine is sourced from PubChem (CID 22138631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).