N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide

C29H25N5O3 — CID 25190509

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3ccccc3c1)n2CCC(N)=O
InChIInChI=1S/C29H25N5O3/c1-33(28(37)20-8-3-2-4-9-20)23-13-14-25-24(18-23)31-29(34(25)16-15-26(30)35)32-27(36)22-12-11-19-7-5-6-10-21(19)17-22/h2-14,17-18H,15-16H2,1H3,(H2,30,35)(H,31,32,36)
InChIKeyMGKBRQHUVOICMA-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.59
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide (PubChem CID 25190509) has the molecular formula C29H25N5O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide
PubChem CID25190509
Molecular FormulaC29H25N5O3
Molecular Weight491.55 g/mol
Exact Mass491.20
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3ccccc3c1)n2CCC(N)=O
InChIInChI=1S/C29H25N5O3/c1-33(28(37)20-8-3-2-4-9-20)23-13-14-25-24(18-23)31-29(34(25)16-15-26(30)35)32-27(36)22-12-11-19-7-5-6-10-21(19)17-22/h2-14,17-18H,15-16H2,1H3,(H2,30,35)(H,31,32,36)
InChIKeyMGKBRQHUVOICMA-UHFFFAOYSA-N
XLogP4.59
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide (CID 25190509) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3ccccc3c1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is MGKBRQHUVOICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3/c1-33(28(37)20-8-3-2-4-9-20)23-13-14-25-24(18-23)31-29(34(25)16-15-26(30)35)32-27(36)22-12-11-19-7-5-6-10-21(19)17-22/h2-14,17-18H,15-16H2,1H3,(H2,30,35)(H,31,32,36).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 25190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).