2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide

C19H17N5O3 — CID 71754800

IUPAC2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21
InChIInChI=1S/C19H17N5O3/c1-24-10-20-14-8-11(6-7-16(14)24)21-17(25)9-15-19(27)22-13-5-3-2-4-12(13)18(26)23-15/h2-8,10,15H,9H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t15-/m1/s1
InChIKeyDNFHRDMIOCJULL-OAHLLOKOSA-N
MW363.38 g/mol
LogP1.65
Rot. Bonds3

About 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 71754800) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID71754800
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21
InChIInChI=1S/C19H17N5O3/c1-24-10-20-14-8-11(6-7-16(14)24)21-17(25)9-15-19(27)22-13-5-3-2-4-12(13)18(26)23-15/h2-8,10,15H,9H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t15-/m1/s1
InChIKeyDNFHRDMIOCJULL-OAHLLOKOSA-N
XLogP1.65
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (CID 71754800) is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide is Cn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21.
What is the InChIKey of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is DNFHRDMIOCJULL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-24-10-20-14-8-11(6-7-16(14)24)21-17(25)9-15-19(27)22-13-5-3-2-4-12(13)18(26)23-15/h2-8,10,15H,9H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t15-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 363.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 71754800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).