N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide

C22H21N5O — CID 59825992

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C22H21N5O/c28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18/h1-12,23H,13-15H2,(H,25,28)(H,26,27)
InChIKeyDUDYOOYHXQZGFG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.18
Rot. Bonds7

About N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide (PubChem CID 59825992) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
PubChem CID59825992
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C22H21N5O/c28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18/h1-12,23H,13-15H2,(H,25,28)(H,26,27)
InChIKeyDUDYOOYHXQZGFG-UHFFFAOYSA-N
XLogP3.18
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
CID 129067460
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
CID 112791088
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
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N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129067099
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
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CID 17394585

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide (CID 59825992) is N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The InChIKey is DUDYOOYHXQZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18/h1-12,23H,13-15H2,(H,25,28)(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 59825992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).