2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

C19H25N5 — CID 129333984

IUPAC2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c([C@H]2CCCN2c2ccnc(C3CC3)n2)nc2c1CCCC2
InChIInChI=1S/C19H25N5/c1-23-15-6-3-2-5-14(15)21-19(23)16-7-4-12-24(16)17-10-11-20-18(22-17)13-8-9-13/h10-11,13,16H,2-9,12H2,1H3/t16-/m1/s1
InChIKeyNATOYJAESLRBAP-MRXNPFEDSA-N
MW323.44 g/mol
LogP3.31
Rot. Bonds3

About 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 129333984) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID129333984
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c([C@H]2CCCN2c2ccnc(C3CC3)n2)nc2c1CCCC2
InChIInChI=1S/C19H25N5/c1-23-15-6-3-2-5-14(15)21-19(23)16-7-4-12-24(16)17-10-11-20-18(22-17)13-8-9-13/h10-11,13,16H,2-9,12H2,1H3/t16-/m1/s1
InChIKeyNATOYJAESLRBAP-MRXNPFEDSA-N
XLogP3.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129476738
2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129476225
4-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]benzonitrile
CID 129476692
N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129328202
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128978251
3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129475610
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977963
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide
CID 99799612
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129475019
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 128978334
2-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128981084

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 129333984) is 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is Cn1c([C@H]2CCCN2c2ccnc(C3CC3)n2)nc2c1CCCC2.
What is the InChIKey of 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is NATOYJAESLRBAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5/c1-23-15-6-3-2-5-14(15)21-19(23)16-7-4-12-24(16)17-10-11-20-18(22-17)13-8-9-13/h10-11,13,16H,2-9,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 323.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 129333984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).