[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone

C16H22N4O — CID 75495784

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc3c(c2)ncn3C(C)C)C1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-18-14-8-12(4-5-15(14)20)16(21)19-7-6-13(9-19)17-3/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3
InChIKeyNFSVICALYLEPCK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds3

About [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone

[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone (PubChem CID 75495784) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
PubChem CID75495784
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc3c(c2)ncn3C(C)C)C1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-18-14-8-12(4-5-15(14)20)16(21)19-7-6-13(9-19)17-3/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3
InChIKeyNFSVICALYLEPCK-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75469363
(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765727
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
(4-methylsulfonyl-1,4-diazepan-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110809945
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
[(3S,4S)-3-(2,6-diaminopurin-9-yl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110162855
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone (CID 75495784) is [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone is CNC1CCN(C(=O)c2ccc3c(c2)ncn3C(C)C)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The InChIKey is NFSVICALYLEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)20-10-18-14-8-12(4-5-15(14)20)16(21)19-7-6-13(9-19)17-3/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone?
[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 75495784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).