N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

C25H20ClN5O3 — CID 167788176

IUPACN-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2cccc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C25H20ClN5O3/c26-17-10-6-12-19-22(17)31(14-15-7-2-1-3-8-15)25(29-19)30-21(32)13-20-24(34)27-18-11-5-4-9-16(18)23(33)28-20/h1-12,20H,13-14H2,(H,27,34)(H,28,33)(H,29,30,32)/t20-/m0/s1
InChIKeyVZIUHPDBYXAUFL-FQEVSTJZSA-N
MW473.92 g/mol
LogP3.82
Rot. Bonds5

About N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide (PubChem CID 167788176) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
PubChem CID167788176
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC NameN-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2cccc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C25H20ClN5O3/c26-17-10-6-12-19-22(17)31(14-15-7-2-1-3-8-15)25(29-19)30-21(32)13-20-24(34)27-18-11-5-4-9-16(18)23(33)28-20/h1-12,20H,13-14H2,(H,27,34)(H,28,33)(H,29,30,32)/t20-/m0/s1
InChIKeyVZIUHPDBYXAUFL-FQEVSTJZSA-N
XLogP3.82
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The IUPAC name of N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide (CID 167788176) is N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide.
What is the SMILES notation for N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The canonical SMILES for N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide is O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2cccc(Cl)c2n1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The InChIKey is VZIUHPDBYXAUFL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c26-17-10-6-12-19-22(17)31(14-15-7-2-1-3-8-15)25(29-19)30-21(32)13-20-24(34)27-18-11-5-4-9-16(18)23(33)28-20/h1-12,20H,13-14H2,(H,27,34)(H,28,33)(H,29,30,32)/t20-/m0/s1.
What are the key properties of N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide has a molecular weight of 473.92 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-7-chlorobenzimidazol-2-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide is sourced from PubChem (CID 167788176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).