N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine

C18H21N3O2 — CID 937788

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-15-8-6-5-7-14(15)20-18(21)19-12-13-9-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyUTLZKIROHMTMOL-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.69
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (PubChem CID 937788) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
PubChem CID937788
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-15-8-6-5-7-14(15)20-18(21)19-12-13-9-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyUTLZKIROHMTMOL-UHFFFAOYSA-N
XLogP3.69
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
1-ethyl-5-fluoro-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]benzimidazol-2-amine
CID 75523505
N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 35279941
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353
1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 171700310
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (CID 937788) is N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine is CCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The InChIKey is UTLZKIROHMTMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-21-15-8-6-5-7-14(15)20-18(21)19-12-13-9-10-16(22-2)17(11-13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine has a molecular weight of 311.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 937788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).