4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine

C14H19N3O — CID 113463958

IUPAC4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CC1CC1C
InChIInChI=1S/C14H19N3O/c1-3-18-12-6-4-5-11-13(12)16-14(15)17(11)8-10-7-9(10)2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,15,16)
InChIKeyFDNBPTLUBBSGJV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.67
Rot. Bonds4

About 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine

4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine (PubChem CID 113463958) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
PubChem CID113463958
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CC1CC1C
InChIInChI=1S/C14H19N3O/c1-3-18-12-6-4-5-11-13(12)16-14(15)17(11)8-10-7-9(10)2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,15,16)
InChIKeyFDNBPTLUBBSGJV-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
CID 106019994
4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326378
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
2-(1-chloroethyl)-4-ethoxy-1-(2-methylpropyl)benzimidazole
CID 113393086
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine (CID 113463958) is 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine is CCOc1cccc2c1nc(N)n2CC1CC1C.
What is the InChIKey of 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine?
The InChIKey is FDNBPTLUBBSGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-12-6-4-5-11-13(12)16-14(15)17(11)8-10-7-9(10)2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine?
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 113463958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).