N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide

C19H20N4O2 — CID 51532359

IUPACN-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESNC(=O)CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c20-17(24)11-13-23-16-9-5-4-8-15(16)22-18(23)10-12-21-19(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,20,24)(H,21,25)
InChIKeyVDZFKOQCBIDQGW-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.88
Rot. Bonds7

About N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 51532359) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID51532359
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESNC(=O)CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c20-17(24)11-13-23-16-9-5-4-8-15(16)22-18(23)10-12-21-19(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,20,24)(H,21,25)
InChIKeyVDZFKOQCBIDQGW-UHFFFAOYSA-N
XLogP1.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975852
N-[2-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 110932441
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide (CID 51532359) is N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide is NC(=O)CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is VDZFKOQCBIDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-17(24)11-13-23-16-9-5-4-8-15(16)22-18(23)10-12-21-19(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,20,24)(H,21,25).
What are the key properties of N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 51532359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).