N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C21H26N6O — CID 126440928

IUPACN-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C21H26N6O/c1-3-17(20-23-18-5-4-15(2)14-19(18)24-20)25-21(28)27-12-10-26(11-13-27)16-6-8-22-9-7-16/h4-9,14,17H,3,10-13H2,1-2H3,(H,23,24)(H,25,28)/t17-/m0/s1
InChIKeyRICWABNCMYSFFT-KRWDZBQOSA-N
MW378.48 g/mol
LogP3.25
Rot. Bonds4

About N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 126440928) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID126440928
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C21H26N6O/c1-3-17(20-23-18-5-4-15(2)14-19(18)24-20)25-21(28)27-12-10-26(11-13-27)16-6-8-22-9-7-16/h4-9,14,17H,3,10-13H2,1-2H3,(H,23,24)(H,25,28)/t17-/m0/s1
InChIKeyRICWABNCMYSFFT-KRWDZBQOSA-N
XLogP3.25
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
CID 126444622
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321
N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 125179634
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 86287124
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6460760
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 48637215
1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42197056
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122568490
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 126440928) is N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is RICWABNCMYSFFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-17(20-23-18-5-4-15(2)14-19(18)24-20)25-21(28)27-12-10-26(11-13-27)16-6-8-22-9-7-16/h4-9,14,17H,3,10-13H2,1-2H3,(H,23,24)(H,25,28)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).