N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide

C20H19N5O2 — CID 51926199

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-13(20-23-15-7-3-4-8-16(15)24-20)22-19(27)10-11-25-17-9-5-2-6-14(17)18(26)12-21-25/h2-9,12-13H,10-11H2,1H3,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyYQSCNKDAVUMPMX-CYBMUJFWSA-N
MW361.41 g/mol
LogP2.54
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51926199) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51926199
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-13(20-23-15-7-3-4-8-16(15)24-20)22-19(27)10-11-25-17-9-5-2-6-14(17)18(26)12-21-25/h2-9,12-13H,10-11H2,1H3,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyYQSCNKDAVUMPMX-CYBMUJFWSA-N
XLogP2.54
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71827903
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18116505
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 18116311
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 51926199) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide is C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is YQSCNKDAVUMPMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(20-23-15-7-3-4-8-16(15)24-20)22-19(27)10-11-25-17-9-5-2-6-14(17)18(26)12-21-25/h2-9,12-13H,10-11H2,1H3,(H,22,27)(H,23,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 361.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51926199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).