N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide

C21H21N5O — CID 124877575

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c1-13(20-24-16-10-6-7-11-17(16)25-20)22-21(27)18-12-19(26(2)3)14-8-4-5-9-15(14)23-18/h4-13H,1-3H3,(H,22,27)(H,24,25)/t13-/m1/s1
InChIKeyUWLYCBVEHXXQMH-CYBMUJFWSA-N
MW359.43 g/mol
LogP3.67
Rot. Bonds4

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide (PubChem CID 124877575) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide
PubChem CID124877575
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c1-13(20-24-16-10-6-7-11-17(16)25-20)22-21(27)18-12-19(26(2)3)14-8-4-5-9-15(14)23-18/h4-13H,1-3H3,(H,22,27)(H,24,25)/t13-/m1/s1
InChIKeyUWLYCBVEHXXQMH-CYBMUJFWSA-N
XLogP3.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide (CID 124877575) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide is C[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide?
The InChIKey is UWLYCBVEHXXQMH-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(20-24-16-10-6-7-11-17(16)25-20)22-21(27)18-12-19(26(2)3)14-8-4-5-9-15(14)23-18/h4-13H,1-3H3,(H,22,27)(H,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide is sourced from PubChem (CID 124877575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).