N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine

C21H27N3O — CID 26412

IUPACN,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeySFNKTTXBZXVGOH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.98
Rot. Bonds8

About N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine

N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine (PubChem CID 26412) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
PubChem CID26412
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeySFNKTTXBZXVGOH-UHFFFAOYSA-N
XLogP3.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Astemizole
CID 2247
Etonitazene
CID 13493
Protonitazene
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Etodesnitazene
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Metonitazene
CID 53316366
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
3-(1-Methylbenzimidazol-2-yl)chromen-2-one
CID 951231
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine (CID 26412) is N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine is CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine?
The InChIKey is SFNKTTXBZXVGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine has a molecular weight of 337.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 26412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).