2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C28H29N7 — CID 54107911

IUPAC2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(C3CCCN3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7/c1-2-6-27-30-25-15-14-21(24-9-5-16-29-24)17-26(25)35(27)18-19-10-12-20(13-11-19)22-7-3-4-8-23(22)28-31-33-34-32-28/h3-4,7-8,10-15,17,24,29H,2,5-6,9,16,18H2,1H3,(H,31,32,33,34)
InChIKeyNFBDMLQOBYSXDY-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.31
Rot. Bonds7

About 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 54107911) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID54107911
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(C3CCCN3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7/c1-2-6-27-30-25-15-14-21(24-9-5-16-29-24)17-26(25)35(27)18-19-10-12-20(13-11-19)22-7-3-4-8-23(22)28-31-33-34-32-28/h3-4,7-8,10-15,17,24,29H,2,5-6,9,16,18H2,1H3,(H,31,32,33,34)
InChIKeyNFBDMLQOBYSXDY-UHFFFAOYSA-N
XLogP5.31
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 21479139
2-butyl-N-(2-hydroxycyclohexyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 15661987
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
6-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole
CID 57133212
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
5-[2-[4-[[4-chloro-5-(propan-2-yloxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 70973303
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]benzimidazole
CID 19802488
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536
2-butyl-6-(2-chlorophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 10414314
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 68722341
3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 21479122

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 54107911) is 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCc1nc2ccc(C3CCCN3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is NFBDMLQOBYSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7/c1-2-6-27-30-25-15-14-21(24-9-5-16-29-24)17-26(25)35(27)18-19-10-12-20(13-11-19)22-7-3-4-8-23(22)28-31-33-34-32-28/h3-4,7-8,10-15,17,24,29H,2,5-6,9,16,18H2,1H3,(H,31,32,33,34).
What are the key properties of 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 463.59 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 54107911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).