4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide

C20H21ClN4O2 — CID 1121185

IUPAC4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c21-16-7-5-15(6-8-16)19(26)23-20-22-17-3-1-2-4-18(17)25(20)10-9-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,23,26)
InChIKeyCRLJHTVOVQXTPL-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide

4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 1121185) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID1121185
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c21-16-7-5-15(6-8-16)19(26)23-20-22-17-3-1-2-4-18(17)25(20)10-9-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,23,26)
InChIKeyCRLJHTVOVQXTPL-UHFFFAOYSA-N
XLogP3.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.27
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-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide (CID 1121185) is 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is CRLJHTVOVQXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-7-5-15(6-8-16)19(26)23-20-22-17-3-1-2-4-18(17)25(20)10-9-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,23,26).
What are the key properties of 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 384.87 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1121185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).