4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C19H22N4O2 — CID 95289715

IUPAC4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O2/c1-12(15-8-9-16-17(10-15)22-19(25)21-16)20-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,12H,11H2,1-3H3,(H,20,24)(H2,21,22,25)/t12-/m1/s1
InChIKeyRFCAUGYWRGHHKR-GFCCVEGCSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 95289715) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID95289715
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O2/c1-12(15-8-9-16-17(10-15)22-19(25)21-16)20-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,12H,11H2,1-3H3,(H,20,24)(H2,21,22,25)/t12-/m1/s1
InChIKeyRFCAUGYWRGHHKR-GFCCVEGCSA-N
XLogP2.41
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55736204
4-[cyclohexyl(methyl)sulfamoyl]-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55736735
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 95289715) is 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is RFCAUGYWRGHHKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(15-8-9-16-17(10-15)22-19(25)21-16)20-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,12H,11H2,1-3H3,(H,20,24)(H2,21,22,25)/t12-/m1/s1.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 95289715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).