2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide

C19H21N5O — CID 110121857

IUPAC2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C19H21N5O/c1-23(2)12-16-13-24(14-22-16)18-9-4-3-8-17(18)19(25)21-11-15-7-5-6-10-20-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,25)
InChIKeyBPBVVLVUSKQSQW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 110121857) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID110121857
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C19H21N5O/c1-23(2)12-16-13-24(14-22-16)18-9-4-3-8-17(18)19(25)21-11-15-7-5-6-10-20-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,25)
InChIKeyBPBVVLVUSKQSQW-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 110121932
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2-[4-[[(1-methylpyrazole-3-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098582
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
2-[4-[[methyl(methylsulfonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098588
2-[4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098584
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 110121857) is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BPBVVLVUSKQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(2)12-16-13-24(14-22-16)18-9-4-3-8-17(18)19(25)21-11-15-7-5-6-10-20-15/h3-10,13-14H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 110121857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).