N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide

C27H31N7O2 — CID 10368118

IUPACN-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C27H31N7O2/c1-20(21-6-3-2-4-7-21)31-25-17-28-18-26(32-25)34-19-30-23-16-22(8-9-24(23)34)27(35)29-10-5-11-33-12-14-36-15-13-33/h2-4,6-9,16-20H,5,10-15H2,1H3,(H,29,35)(H,31,32)/t20-/m0/s1
InChIKeyQVIFPDJBZARZKN-FQEVSTJZSA-N
MW485.59 g/mol
LogP3.44
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide

N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide (PubChem CID 10368118) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
PubChem CID10368118
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C27H31N7O2/c1-20(21-6-3-2-4-7-21)31-25-17-28-18-26(32-25)34-19-30-23-16-22(8-9-24(23)34)27(35)29-10-5-11-33-12-14-36-15-13-33/h2-4,6-9,16-20H,5,10-15H2,1H3,(H,29,35)(H,31,32)/t20-/m0/s1
InChIKeyQVIFPDJBZARZKN-FQEVSTJZSA-N
XLogP3.44
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10479664
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
N-benzyl-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazole-5-carboxamide
CID 59924918
1-[4-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 67011702
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide (CID 10368118) is N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide is C[C@H](Nc1cncc(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide?
The InChIKey is QVIFPDJBZARZKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-20(21-6-3-2-4-7-21)31-25-17-28-18-26(32-25)34-19-30-23-16-22(8-9-24(23)34)27(35)29-10-5-11-33-12-14-36-15-13-33/h2-4,6-9,16-20H,5,10-15H2,1H3,(H,29,35)(H,31,32)/t20-/m0/s1.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 10368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).