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

C22H25ClN4O2 — CID 16978024

IUPAC3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCN(CC)C(=O)Cn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H25ClN4O2/c1-3-26(4-2)21(28)15-27-19-11-6-5-10-18(19)25-20(27)12-13-24-22(29)16-8-7-9-17(23)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,29)
InChIKeyRHWOSPZOYAKCCK-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.53
Rot. Bonds8

About 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16978024) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16978024
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCN(CC)C(=O)Cn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H25ClN4O2/c1-3-26(4-2)21(28)15-27-19-11-6-5-10-18(19)25-20(27)12-13-24-22(29)16-8-7-9-17(23)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,29)
InChIKeyRHWOSPZOYAKCCK-UHFFFAOYSA-N
XLogP3.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990536
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966465
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16978024) is 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCN(CC)C(=O)Cn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RHWOSPZOYAKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-3-26(4-2)21(28)15-27-19-11-6-5-10-18(19)25-20(27)12-13-24-22(29)16-8-7-9-17(23)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,29).
What are the key properties of 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 412.92 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16978024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).