N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide

C18H24N4O — CID 99972095

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
SMILESCC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncc(C)[nH]1
InChIInChI=1S/C18H24N4O/c1-3-16(17-19-12-13(2)20-17)21-18(23)14-6-8-15(9-7-14)22-10-4-5-11-22/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1
InChIKeyHVVIPHOGSYDAOC-MRXNPFEDSA-N
MW312.42 g/mol
LogP3.20
Rot. Bonds5

About N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 99972095) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID99972095
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
SMILESCC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncc(C)[nH]1
InChIInChI=1S/C18H24N4O/c1-3-16(17-19-12-13(2)20-17)21-18(23)14-6-8-15(9-7-14)22-10-4-5-11-22/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1
InChIKeyHVVIPHOGSYDAOC-MRXNPFEDSA-N
XLogP3.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 91761816
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
CID 72845547
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72847742
3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
CID 170511574
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide (CID 99972095) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide is CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is HVVIPHOGSYDAOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-16(17-19-12-13(2)20-17)21-18(23)14-6-8-15(9-7-14)22-10-4-5-11-22/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 312.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 99972095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).