4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide

C20H23ClN4O — CID 1378950

IUPAC4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H23ClN4O/c1-3-24(4-2)13-14-25-18-8-6-5-7-17(18)22-20(25)23-19(26)15-9-11-16(21)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)
InChIKeyUXFUFRUAMAGXED-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.28
Rot. Bonds7

About 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide

4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 1378950) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide
PubChem CID1378950
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H23ClN4O/c1-3-24(4-2)13-14-25-18-8-6-5-7-17(18)22-20(25)23-19(26)15-9-11-16(21)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)
InChIKeyUXFUFRUAMAGXED-UHFFFAOYSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide (CID 1378950) is 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide is CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is UXFUFRUAMAGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-3-24(4-2)13-14-25-18-8-6-5-7-17(18)22-20(25)23-19(26)15-9-11-16(21)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26).
What are the key properties of 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide?
4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1378950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).