1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide

C25H23N5O3 — CID 10288201

IUPAC1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)c1ccccc1
InChIInChI=1S/C25H23N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNGHIMGBPEPCNOT-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.44
Rot. Bonds7

About 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide (PubChem CID 10288201) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide
PubChem CID10288201
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)c1ccccc1
InChIInChI=1S/C25H23N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNGHIMGBPEPCNOT-UHFFFAOYSA-N
XLogP3.44
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Brd4770
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide (CID 10288201) is 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)c1ccccc1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide?
The InChIKey is NGHIMGBPEPCNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-29(19-10-6-3-7-11-19)24(33)18-12-13-21-20(16-18)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 10288201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).