4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide

C16H16N4O — CID 110462612

IUPAC4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10,17H2,(H,18,21)(H,19,20)
InChIKeyBGDADLRQWHADMK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.12
Rot. Bonds4

About 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 110462612) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID110462612
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10,17H2,(H,18,21)(H,19,20)
InChIKeyBGDADLRQWHADMK-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 30209277
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide (CID 110462612) is 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is BGDADLRQWHADMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide?
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110462612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).