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

C17H25N5 — CID 128973852

IUPAC1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1[nH]ncc1CN1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H25N5/c1-12-13(10-18-20-12)11-22-9-5-8-16(22)17-19-14-6-3-4-7-15(14)21(17)2/h10,16H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyFOHDIOJEEKIIBL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.67
Rot. Bonds3

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

1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 128973852) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID128973852
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1[nH]ncc1CN1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H25N5/c1-12-13(10-18-20-12)11-22-9-5-8-16(22)17-19-14-6-3-4-7-15(14)21(17)2/h10,16H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyFOHDIOJEEKIIBL-UHFFFAOYSA-N
XLogP2.67
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129475472
3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154737174
1-methyl-2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 127975036
1-methyl-2-[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978934
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129475019
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 129344593
2-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128981084
5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carbonitrile
CID 128979025
2-[[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 129334462
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole (CID 128973852) is 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole is Cc1[nH]ncc1CN1CCCC1c1nc2c(n1C)CCCC2.
What is the InChIKey of 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is FOHDIOJEEKIIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-13(10-18-20-12)11-22-9-5-8-16(22)17-19-14-6-3-4-7-15(14)21(17)2/h10,16H,3-9,11H2,1-2H3,(H,18,20).
What are the key properties of 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 299.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 128973852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).