2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide

C24H20BrN5O3 — CID 167948469

IUPAC2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(NC(=O)C(NC(=O)Cc3ccc(Br)cc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20BrN5O3/c25-17-9-6-14(7-10-17)12-20(31)29-21(15-4-2-1-3-5-15)23(33)30-24-27-18-11-8-16(22(26)32)13-19(18)28-24/h1-11,13,21H,12H2,(H2,26,32)(H,29,31)(H2,27,28,30,33)
InChIKeyPJWMEPVBDDRWML-UHFFFAOYSA-N
MW506.36 g/mol
LogP3.46
Rot. Bonds7

About 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide

2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide (PubChem CID 167948469) has the molecular formula C24H20BrN5O3 and a molecular weight of 506.36 g/mol. Its IUPAC name is 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide
PubChem CID167948469
Molecular FormulaC24H20BrN5O3
Molecular Weight506.36 g/mol
Exact Mass505.07
IUPAC Name2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(NC(=O)C(NC(=O)Cc3ccc(Br)cc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20BrN5O3/c25-17-9-6-14(7-10-17)12-20(31)29-21(15-4-2-1-3-5-15)23(33)30-24-27-18-11-8-16(22(26)32)13-19(18)28-24/h1-11,13,21H,12H2,(H2,26,32)(H,29,31)(H2,27,28,30,33)
InChIKeyPJWMEPVBDDRWML-UHFFFAOYSA-N
XLogP3.46
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.36
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162676163
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide (CID 167948469) is 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(NC(=O)C(NC(=O)Cc3ccc(Br)cc3)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide?
The InChIKey is PJWMEPVBDDRWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN5O3/c25-17-9-6-14(7-10-17)12-20(31)29-21(15-4-2-1-3-5-15)23(33)30-24-27-18-11-8-16(22(26)32)13-19(18)28-24/h1-11,13,21H,12H2,(H2,26,32)(H,29,31)(H2,27,28,30,33).
What are the key properties of 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide?
2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide has a molecular weight of 506.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167948469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).