N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide

C20H22F2N4O — CID 30178740

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc(F)ccc2F)nc2ccccc21
InChIInChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-17(18)23-20(26)24-19(27)15-13-14(21)9-10-16(15)22/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,27)
InChIKeySPICJIQOJBACPN-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.91
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide (PubChem CID 30178740) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
PubChem CID30178740
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc(F)ccc2F)nc2ccccc21
InChIInChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-17(18)23-20(26)24-19(27)15-13-14(21)9-10-16(15)22/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,27)
InChIKeySPICJIQOJBACPN-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 19452881
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 52548576
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
CID 60567418

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide (CID 30178740) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide is CCN(CC)CCn1c(NC(=O)c2cc(F)ccc2F)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide?
The InChIKey is SPICJIQOJBACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-17(18)23-20(26)24-19(27)15-13-14(21)9-10-16(15)22/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,27).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 30178740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).