N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C25H26N4O2 — CID 118515849

IUPACN-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCN)cc21
InChIInChI=1S/C25H26N4O2/c1-2-29-22-17-18(23(30)27-16-15-26)13-14-21(22)28-24(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,31H,2,15-16,26H2,1H3,(H,27,30)
InChIKeyBEIJRLYRMWLTGR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.03
Rot. Bonds7

About N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 118515849) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID118515849
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCN)cc21
InChIInChI=1S/C25H26N4O2/c1-2-29-22-17-18(23(30)27-16-15-26)13-14-21(22)28-24(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,31H,2,15-16,26H2,1H3,(H,27,30)
InChIKeyBEIJRLYRMWLTGR-UHFFFAOYSA-N
XLogP3.03
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 118515849) is N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCN)cc21.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is BEIJRLYRMWLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-29-22-17-18(23(30)27-16-15-26)13-14-21(22)28-24(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,31H,2,15-16,26H2,1H3,(H,27,30).
What are the key properties of N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118515849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).