N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide

C25H27N7O — CID 142035623

IUPACN-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(Nc1nccc(-n2cnc3cc(N(C)C(=O)N4CCCC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C25H27N7O/c1-18(19-8-4-3-5-9-19)28-24-26-13-12-23(29-24)32-17-27-21-16-20(10-11-22(21)32)30(2)25(33)31-14-6-7-15-31/h3-5,8-13,16-18H,6-7,14-15H2,1-2H3,(H,26,28,29)
InChIKeyMYNDXCCGYUSBIV-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.64
Rot. Bonds5

About N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide

N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 142035623) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID142035623
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(Nc1nccc(-n2cnc3cc(N(C)C(=O)N4CCCC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C25H27N7O/c1-18(19-8-4-3-5-9-19)28-24-26-13-12-23(29-24)32-17-27-21-16-20(10-11-22(21)32)30(2)25(33)31-14-6-7-15-31/h3-5,8-13,16-18H,6-7,14-15H2,1-2H3,(H,26,28,29)
InChIKeyMYNDXCCGYUSBIV-UHFFFAOYSA-N
XLogP4.64
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 18342799
1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N,N-bis(prop-2-enyl)benzimidazol-5-amine
CID 59924674
1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342785
1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342791
2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
CID 59924879
1-[4-(dimethylamino)phenyl]-4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]butan-1-one
CID 142035665
ethyl 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate
CID 18342898
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
N-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]acetamide
CID 18342777
4-(5-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375448
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]formamide
CID 142035754
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide
CID 59924831

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide (CID 142035623) is N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide is CC(Nc1nccc(-n2cnc3cc(N(C)C(=O)N4CCCC4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is MYNDXCCGYUSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-18(19-8-4-3-5-9-19)28-24-26-13-12-23(29-24)32-17-27-21-16-20(10-11-22(21)32)30(2)25(33)31-14-6-7-15-31/h3-5,8-13,16-18H,6-7,14-15H2,1-2H3,(H,26,28,29).
What are the key properties of N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide?
N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 142035623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).