1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole

C12H12N6 — CID 36543584

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
SMILESc1ccc2c(c1)ncn2Cc1nnnn1C1CC1
InChIInChI=1S/C12H12N6/c1-2-4-11-10(3-1)13-8-17(11)7-12-14-15-16-18(12)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyGLBPVOLWQKAVMM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.41
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole

1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole (PubChem CID 36543584) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
PubChem CID36543584
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
SMILESc1ccc2c(c1)ncn2Cc1nnnn1C1CC1
InChIInChI=1S/C12H12N6/c1-2-4-11-10(3-1)13-8-17(11)7-12-14-15-16-18(12)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyGLBPVOLWQKAVMM-UHFFFAOYSA-N
XLogP1.41
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 47069571
3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459126
4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 95851916
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 23857813
1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
CID 122196144

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole (CID 36543584) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole is c1ccc2c(c1)ncn2Cc1nnnn1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole?
The InChIKey is GLBPVOLWQKAVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-2-4-11-10(3-1)13-8-17(11)7-12-14-15-16-18(12)9-5-6-9/h1-4,8-9H,5-7H2.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole?
1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole has a molecular weight of 240.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole is sourced from PubChem (CID 36543584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).