4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide

C20H21ClN4O2 — CID 666066

IUPAC4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H21ClN4O2/c1-24-18-7-6-16(22-20(26)14-2-4-15(21)5-3-14)12-17(18)23-19(24)13-25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyVJIBEJHZZMWKNG-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.31
Rot. Bonds4

About 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide

4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide (PubChem CID 666066) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide
PubChem CID666066
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H21ClN4O2/c1-24-18-7-6-16(22-20(26)14-2-4-15(21)5-3-14)12-17(18)23-19(24)13-25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyVJIBEJHZZMWKNG-UHFFFAOYSA-N
XLogP3.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide (CID 666066) is 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide is Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide?
The InChIKey is VJIBEJHZZMWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24-18-7-6-16(22-20(26)14-2-4-15(21)5-3-14)12-17(18)23-19(24)13-25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26).
What are the key properties of 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide?
4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide has a molecular weight of 384.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 666066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).