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

C18H15N5O3 — CID 99870916

IUPACN-(3H-benzimidazol-5-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)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H15N5O3/c24-16(21-10-5-6-13-14(7-10)20-9-19-13)8-15-18(26)22-12-4-2-1-3-11(12)17(25)23-15/h1-7,9,15H,8H2,(H,19,20)(H,21,24)(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyOGZRSJPSYGIIKQ-HNNXBMFYSA-N
MW349.35 g/mol
LogP1.64
Rot. Bonds3

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

N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide (PubChem CID 99870916) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
PubChem CID99870916
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(3H-benzimidazol-5-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)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C18H15N5O3/c24-16(21-10-5-6-13-14(7-10)20-9-19-13)8-15-18(26)22-12-4-2-1-3-11(12)17(25)23-15/h1-7,9,15H,8H2,(H,19,20)(H,21,24)(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyOGZRSJPSYGIIKQ-HNNXBMFYSA-N
XLogP1.64
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide (CID 99870916) is N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-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)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
The InChIKey is OGZRSJPSYGIIKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-16(21-10-5-6-13-14(7-10)20-9-19-13)8-15-18(26)22-12-4-2-1-3-11(12)17(25)23-15/h1-7,9,15H,8H2,(H,19,20)(H,21,24)(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide?
N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide has a molecular weight of 349.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide is sourced from PubChem (CID 99870916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).