1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine

C16H23N3 — CID 117397222

IUPAC1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
SMILESCC(C)c1nc2cc(C3(C(C)N)CC3)ccc2n1C
InChIInChI=1S/C16H23N3/c1-10(2)15-18-13-9-12(5-6-14(13)19(15)4)16(7-8-16)11(3)17/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyVFTULMMXYJOZLJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine

1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine (PubChem CID 117397222) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
PubChem CID117397222
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
SMILESCC(C)c1nc2cc(C3(C(C)N)CC3)ccc2n1C
InChIInChI=1S/C16H23N3/c1-10(2)15-18-13-9-12(5-6-14(13)19(15)4)16(7-8-16)11(3)17/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyVFTULMMXYJOZLJ-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine
CID 117358386
6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 163320821
4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 96679578
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine (CID 117397222) is 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine is CC(C)c1nc2cc(C3(C(C)N)CC3)ccc2n1C.
What is the InChIKey of 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine?
The InChIKey is VFTULMMXYJOZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)15-18-13-9-12(5-6-14(13)19(15)4)16(7-8-16)11(3)17/h5-6,9-11H,7-8,17H2,1-4H3.
What are the key properties of 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine?
1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117397222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).