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

C17H27N7 — CID 129335824

IUPAC1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)n1nnnc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H27N7/c1-12(2)24-16(19-20-21-24)11-23-10-6-9-15(23)17-18-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyJFGKBVCZXDTTIG-OAHLLOKOSA-N
MW329.45 g/mol
LogP2.20
Rot. Bonds4

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

1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 129335824) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID129335824
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)n1nnnc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H27N7/c1-12(2)24-16(19-20-21-24)11-23-10-6-9-15(23)17-18-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyJFGKBVCZXDTTIG-OAHLLOKOSA-N
XLogP2.20
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole (CID 129335824) is 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole is CC(C)n1nnnc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2.
What is the InChIKey of 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is JFGKBVCZXDTTIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N7/c1-12(2)24-16(19-20-21-24)11-23-10-6-9-15(23)17-18-13-7-4-5-8-14(13)22(17)3/h12,15H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 329.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 129335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).