N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C19H18N4O3 — CID 97497016

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O3/c24-18(11-16-19(25)23-14-7-3-4-8-15(14)26-16)20-10-9-17-21-12-5-1-2-6-13(12)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m1/s1
InChIKeyMKCRFDNXEGLELH-MRXNPFEDSA-N
MW350.38 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 97497016) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID97497016
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O3/c24-18(11-16-19(25)23-14-7-3-4-8-15(14)26-16)20-10-9-17-21-12-5-1-2-6-13(12)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m1/s1
InChIKeyMKCRFDNXEGLELH-MRXNPFEDSA-N
XLogP2.01
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
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(2S)-3-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoic acid
CID 20583045
4-methyl-2-[[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]methyl]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 97497016) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is MKCRFDNXEGLELH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(11-16-19(25)23-14-7-3-4-8-15(14)26-16)20-10-9-17-21-12-5-1-2-6-13(12)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 97497016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).