[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine

C19H23N3O2 — CID 82150142

IUPAC[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1nc2cc(OC)c(OC)cc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C19H23N3O2/c1-4-19-21-15-9-17(23-2)18(24-3)10-16(15)22(19)12-14-7-5-13(11-20)6-8-14/h5-10H,4,11-12,20H2,1-3H3
InChIKeyDNKUMODXJWZIKT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds6

About [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine

[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 82150142) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID82150142
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1nc2cc(OC)c(OC)cc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C19H23N3O2/c1-4-19-21-15-9-17(23-2)18(24-3)10-16(15)22(19)12-14-7-5-13(11-20)6-8-14/h5-10H,4,11-12,20H2,1-3H3
InChIKeyDNKUMODXJWZIKT-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756849
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
[4-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756838
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
CID 82150037
10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
CID 92636108
[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
CID 22693579
4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158119
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
bis(1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole);oxalic acid
CID 70391591
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine (CID 82150142) is [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine is CCc1nc2cc(OC)c(OC)cc2n1Cc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is DNKUMODXJWZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-19-21-15-9-17(23-2)18(24-3)10-16(15)22(19)12-14-7-5-13(11-20)6-8-14/h5-10H,4,11-12,20H2,1-3H3.
What are the key properties of [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine?
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 325.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 82150142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).