N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine

C15H21N3 — CID 84631024

IUPACN-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1cc2nc(CCNC3CC3)n(C)c2cc1C
InChIInChI=1S/C15H21N3/c1-10-8-13-14(9-11(10)2)18(3)15(17-13)6-7-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyVTFPNBGKWPWTSZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 84631024) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID84631024
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1cc2nc(CCNC3CC3)n(C)c2cc1C
InChIInChI=1S/C15H21N3/c1-10-8-13-14(9-11(10)2)18(3)15(17-13)6-7-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyVTFPNBGKWPWTSZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289
N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
CID 61387648
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644086
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine (CID 84631024) is N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine is Cc1cc2nc(CCNC3CC3)n(C)c2cc1C.
What is the InChIKey of N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is VTFPNBGKWPWTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-8-13-14(9-11(10)2)18(3)15(17-13)6-7-16-12-4-5-12/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 84631024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).