N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide

C17H16N4O2 — CID 110794693

IUPACN-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16N4O2/c22-16(10-19-17(23)13-4-2-1-3-5-13)18-9-12-6-7-14-15(8-12)21-11-20-14/h1-8,11H,9-10H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyMVPNTHZBKVAVNB-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide

N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 110794693) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID110794693
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16N4O2/c22-16(10-19-17(23)13-4-2-1-3-5-13)18-9-12-6-7-14-15(8-12)21-11-20-14/h1-8,11H,9-10H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyMVPNTHZBKVAVNB-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
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N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide (CID 110794693) is N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is MVPNTHZBKVAVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(10-19-17(23)13-4-2-1-3-5-13)18-9-12-6-7-14-15(8-12)21-11-20-14/h1-8,11H,9-10H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide?
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110794693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).