N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine

C16H23N3 — CID 43655437

IUPACN-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESCC(C)(C)n1c(CNCC2CC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-16(2,3)19-14-7-5-4-6-13(14)18-15(19)11-17-10-12-8-9-12/h4-7,12,17H,8-11H2,1-3H3
InChIKeyDAQACBWACFFIEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds4

About N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine

N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine (PubChem CID 43655437) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
PubChem CID43655437
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESCC(C)(C)n1c(CNCC2CC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-16(2,3)19-14-7-5-4-6-13(14)18-15(19)11-17-10-12-8-9-12/h4-7,12,17H,8-11H2,1-3H3
InChIKeyDAQACBWACFFIEN-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine (CID 43655437) is N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine is CC(C)(C)n1c(CNCC2CC2)nc2ccccc21.
What is the InChIKey of N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The InChIKey is DAQACBWACFFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)19-14-7-5-4-6-13(14)18-15(19)11-17-10-12-8-9-12/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 43655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).