1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

C16H21N3 — CID 79846795

IUPAC1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc2c(c1)nc(CC1(N)CCC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-11-3-6-14-13(9-11)18-15(19(14)12-4-5-12)10-16(17)7-2-8-16/h3,6,9,12H,2,4-5,7-8,10,17H2,1H3
InChIKeyGHDAUNQBYYQHHE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.10
Rot. Bonds3

About 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine

1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 79846795) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID79846795
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc2c(c1)nc(CC1(N)CCC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-11-3-6-14-13(9-11)18-15(19(14)12-4-5-12)10-16(17)7-2-8-16/h3,6,9,12H,2,4-5,7-8,10,17H2,1H3
InChIKeyGHDAUNQBYYQHHE-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
[1-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433455
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
2-(chloromethyl)-5-methyl-1-(thiolan-3-yl)benzimidazole
CID 103063828
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811
1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 79850996
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
1-(1-ethylcyclobutyl)-5-methylbenzimidazol-2-amine
CID 113488927
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine (CID 79846795) is 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is Cc1ccc2c(c1)nc(CC1(N)CCC1)n2C1CC1.
What is the InChIKey of 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is GHDAUNQBYYQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-3-6-14-13(9-11)18-15(19(14)12-4-5-12)10-16(17)7-2-8-16/h3,6,9,12H,2,4-5,7-8,10,17H2,1H3.
What are the key properties of 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine?
1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79846795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).