2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole

C19H25N5 — CID 70752239

IUPAC2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESCCCn1ccnc1CN1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N5/c1-2-10-24-12-9-20-18(24)14-23-11-5-6-15(13-23)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3,(H,21,22)
InChIKeyNSDOMMOVTIZZJA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole

2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole (PubChem CID 70752239) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
PubChem CID70752239
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESCCCn1ccnc1CN1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H25N5/c1-2-10-24-12-9-20-18(24)14-23-11-5-6-15(13-23)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3,(H,21,22)
InChIKeyNSDOMMOVTIZZJA-UHFFFAOYSA-N
XLogP3.55
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
3-[(3S)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97195148
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole (CID 70752239) is 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole is CCCn1ccnc1CN1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole?
The InChIKey is NSDOMMOVTIZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-2-10-24-12-9-20-18(24)14-23-11-5-6-15(13-23)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole?
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole has a molecular weight of 323.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 70752239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).