2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine

C18H27N3 — CID 79352406

IUPAC2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
SMILESCCCn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-6-11-21-14-10-8-7-9-13(14)20-15(21)12-19-16-17(2,3)18(16,4)5/h7-10,16,19H,6,11-12H2,1-5H3
InChIKeyUCSBKDVMLHSPCD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.97
Rot. Bonds5

About 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 79352406) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID79352406
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
SMILESCCCn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-6-11-21-14-10-8-7-9-13(14)20-15(21)12-19-16-17(2,3)18(16,4)5/h7-10,16,19H,6,11-12H2,1-5H3
InChIKeyUCSBKDVMLHSPCD-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110929241
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
4-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 63422265
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine (CID 79352406) is 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine is CCCn1c(CNC2C(C)(C)C2(C)C)nc2ccccc21.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is UCSBKDVMLHSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-11-21-14-10-8-7-9-13(14)20-15(21)12-19-16-17(2,3)18(16,4)5/h7-10,16,19H,6,11-12H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79352406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).