[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine

C17H26N4 — CID 117462144

IUPAC[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCc1nc2cc(C3CC(CN)CN3C)ccc2n1C(C)C
InChIInChI=1S/C17H26N4/c1-11(2)21-12(3)19-15-8-14(5-6-16(15)21)17-7-13(9-18)10-20(17)4/h5-6,8,11,13,17H,7,9-10,18H2,1-4H3
InChIKeyBRDCHESVHNCSQM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds3

About [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 117462144) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID117462144
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCc1nc2cc(C3CC(CN)CN3C)ccc2n1C(C)C
InChIInChI=1S/C17H26N4/c1-11(2)21-12(3)19-15-8-14(5-6-16(15)21)17-7-13(9-18)10-20(17)4/h5-6,8,11,13,17H,7,9-10,18H2,1-4H3
InChIKeyBRDCHESVHNCSQM-UHFFFAOYSA-N
XLogP2.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117399888
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[5-(3-chloro-2H-indazol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117416285
[5-(3-chloro-4-propan-2-ylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481411
2-methyl-5-piperidin-2-yl-1-propan-2-ylbenzimidazole
CID 117397195
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
[5-(1,3-benzoxathiol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117379769
[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
CID 117411258
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine (CID 117462144) is [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine is Cc1nc2cc(C3CC(CN)CN3C)ccc2n1C(C)C.
What is the InChIKey of [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is BRDCHESVHNCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-11(2)21-12(3)19-15-8-14(5-6-16(15)21)17-7-13(9-18)10-20(17)4/h5-6,8,11,13,17H,7,9-10,18H2,1-4H3.
What are the key properties of [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117462144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).