N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine

C22H29N3 — CID 175453602

IUPACN,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
SMILESCCc1ccc(-c2nc3ccccc3n2CCCN(CC)CC)cc1
InChIInChI=1S/C22H29N3/c1-4-18-12-14-19(15-13-18)22-23-20-10-7-8-11-21(20)25(22)17-9-16-24(5-2)6-3/h7-8,10-15H,4-6,9,16-17H2,1-3H3
InChIKeyFYGZDWNMVMFFCD-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.00
Rot. Bonds8

About N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine

N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 175453602) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
PubChem CID175453602
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC NameN,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
SMILESCCc1ccc(-c2nc3ccccc3n2CCCN(CC)CC)cc1
InChIInChI=1S/C22H29N3/c1-4-18-12-14-19(15-13-18)22-23-20-10-7-8-11-21(20)25(22)17-9-16-24(5-2)6-3/h7-8,10-15H,4-6,9,16-17H2,1-3H3
InChIKeyFYGZDWNMVMFFCD-UHFFFAOYSA-N
XLogP5.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453548
3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453655
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 15291585
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine (CID 175453602) is N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine is CCc1ccc(-c2nc3ccccc3n2CCCN(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is FYGZDWNMVMFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-4-18-12-14-19(15-13-18)22-23-20-10-7-8-11-21(20)25(22)17-9-16-24(5-2)6-3/h7-8,10-15H,4-6,9,16-17H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine?
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 335.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 175453602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).