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

C17H17N5O — CID 110121856

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESNCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H17N5O/c18-9-14-11-22(12-21-14)16-7-2-1-6-15(16)17(23)20-10-13-5-3-4-8-19-13/h1-8,11-12H,9-10,18H2,(H,20,23)
InChIKeyKXBUUVRZKLIYGA-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.66
Rot. Bonds5

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

2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 110121856) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID110121856
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESNCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H17N5O/c18-9-14-11-22(12-21-14)16-7-2-1-6-15(16)17(23)20-10-13-5-3-4-8-19-13/h1-8,11-12H,9-10,18H2,(H,20,23)
InChIKeyKXBUUVRZKLIYGA-UHFFFAOYSA-N
XLogP1.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
CID 110121898
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 110121933
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-[4-[[(1-methylpyrazole-3-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098582
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 110121856) is 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is NCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is KXBUUVRZKLIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-9-14-11-22(12-21-14)16-7-2-1-6-15(16)17(23)20-10-13-5-3-4-8-19-13/h1-8,11-12H,9-10,18H2,(H,20,23).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 110121856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).