N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide

C19H20N4O2 — CID 131920003

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N4O2/c24-19(20-12-14-5-6-16-17(11-14)22-13-21-16)15-3-1-2-4-18(15)23-7-9-25-10-8-23/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22)
InChIKeyHNFNHZFVZIBIQP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.33
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide

N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide (PubChem CID 131920003) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
PubChem CID131920003
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N4O2/c24-19(20-12-14-5-6-16-17(11-14)22-13-21-16)15-3-1-2-4-18(15)23-7-9-25-10-8-23/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22)
InChIKeyHNFNHZFVZIBIQP-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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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide (CID 131920003) is N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide is O=C(NCc1ccc2nc[nH]c2c1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide?
The InChIKey is HNFNHZFVZIBIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(20-12-14-5-6-16-17(11-14)22-13-21-16)15-3-1-2-4-18(15)23-7-9-25-10-8-23/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide?
N-(3H-benzimidazol-5-ylmethyl)-2-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-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131920003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).