(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine

C11H15N3O — CID 80503172

IUPAC(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
SMILESCCn1c(CN)nc2cc(OC)ccc21
InChIInChI=1S/C11H15N3O/c1-3-14-10-5-4-8(15-2)6-9(10)13-11(14)7-12/h4-6H,3,7,12H2,1-2H3
InChIKeyOHYRRTYCDCSEMQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds3

About (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine

(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine (PubChem CID 80503172) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
PubChem CID80503172
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
SMILESCCn1c(CN)nc2cc(OC)ccc21
InChIInChI=1S/C11H15N3O/c1-3-14-10-5-4-8(15-2)6-9(10)13-11(14)7-12/h4-6H,3,7,12H2,1-2H3
InChIKeyOHYRRTYCDCSEMQ-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol
CID 67250603
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
CID 115411306

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine?
The IUPAC name of (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine (CID 80503172) is (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine?
The canonical SMILES for (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine is CCn1c(CN)nc2cc(OC)ccc21.
What is the InChIKey of (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine?
The InChIKey is OHYRRTYCDCSEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-14-10-5-4-8(15-2)6-9(10)13-11(14)7-12/h4-6H,3,7,12H2,1-2H3.
What are the key properties of (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine?
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methoxybenzimidazol-2-yl)methanamine is sourced from PubChem (CID 80503172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).