N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide

C19H20N4O2 — CID 117088058

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C19H20N4O2/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeyPGOCLBRXRWTTMN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.33
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide (PubChem CID 117088058) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
PubChem CID117088058
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C19H20N4O2/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeyPGOCLBRXRWTTMN-UHFFFAOYSA-N
XLogP2.33
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 117093184
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-(1H-benzimidazol-2-ylmethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 51205051
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 112791112
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide (CID 117088058) is N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide?
The InChIKey is PGOCLBRXRWTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(20-13-18-21-16-6-1-2-7-17(16)22-18)14-4-3-5-15(12-14)23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 117088058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).