N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide

C20H23N5O — CID 95224048

IUPACN-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
SMILESC[C@H](c1ccccn1)N(C)Cc1cccc(C(=O)Nc2nccn2C)c1
InChIInChI=1S/C20H23N5O/c1-15(18-9-4-5-10-21-18)25(3)14-16-7-6-8-17(13-16)19(26)23-20-22-11-12-24(20)2/h4-13,15H,14H2,1-3H3,(H,22,23,26)/t15-/m1/s1
InChIKeyHTXNZLZFPBZKIH-OAHLLOKOSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds6

About N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide

N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide (PubChem CID 95224048) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
PubChem CID95224048
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
SMILESC[C@H](c1ccccn1)N(C)Cc1cccc(C(=O)Nc2nccn2C)c1
InChIInChI=1S/C20H23N5O/c1-15(18-9-4-5-10-21-18)25(3)14-16-7-6-8-17(13-16)19(26)23-20-22-11-12-24(20)2/h4-13,15H,14H2,1-3H3,(H,22,23,26)/t15-/m1/s1
InChIKeyHTXNZLZFPBZKIH-OAHLLOKOSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide (CID 95224048) is N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide is C[C@H](c1ccccn1)N(C)Cc1cccc(C(=O)Nc2nccn2C)c1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide?
The InChIKey is HTXNZLZFPBZKIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(18-9-4-5-10-21-18)25(3)14-16-7-6-8-17(13-16)19(26)23-20-22-11-12-24(20)2/h4-13,15H,14H2,1-3H3,(H,22,23,26)/t15-/m1/s1.
What are the key properties of N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide?
N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide is sourced from PubChem (CID 95224048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).