[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine

C17H23N3O — CID 106786023

IUPAC[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2c(C)nc3c2CCCC3)ccc1CN
InChIInChI=1S/C17H23N3O/c1-12-19-15-5-3-4-6-16(15)20(12)11-13-7-8-14(10-18)17(9-13)21-2/h7-9H,3-6,10-11,18H2,1-2H3
InChIKeyCCITZTHPEFMNNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.59
Rot. Bonds4

About [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine

[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 106786023) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID106786023
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2c(C)nc3c2CCCC3)ccc1CN
InChIInChI=1S/C17H23N3O/c1-12-19-15-5-3-4-6-16(15)20(12)11-13-7-8-14(10-18)17(9-13)21-2/h7-9H,3-6,10-11,18H2,1-2H3
InChIKeyCCITZTHPEFMNNS-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
CID 116626693
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
2-fluoro-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 107879722
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine (CID 106786023) is [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine is COc1cc(Cn2c(C)nc3c2CCCC3)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is CCITZTHPEFMNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-19-15-5-3-4-6-16(15)20(12)11-13-7-8-14(10-18)17(9-13)21-2/h7-9H,3-6,10-11,18H2,1-2H3.
What are the key properties of [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine?
[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 106786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).