[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol

C18H25ClN4O2 — CID 123600399

IUPAC[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol
SMILESCc1cc2[nH]c(N3CCC(C(O)NC4CCOC4)CC3)nc2cc1Cl
InChIInChI=1S/C18H25ClN4O2/c1-11-8-15-16(9-14(11)19)22-18(21-15)23-5-2-12(3-6-23)17(24)20-13-4-7-25-10-13/h8-9,12-13,17,20,24H,2-7,10H2,1H3,(H,21,22)
InChIKeyGNUPBPHUQXDMMD-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.44
Rot. Bonds4

About [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol

[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol (PubChem CID 123600399) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol.

Molecular Properties

Compound Name[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol
PubChem CID123600399
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol
SMILESCc1cc2[nH]c(N3CCC(C(O)NC4CCOC4)CC3)nc2cc1Cl
InChIInChI=1S/C18H25ClN4O2/c1-11-8-15-16(9-14(11)19)22-18(21-15)23-5-2-12(3-6-23)17(24)20-13-4-7-25-10-13/h8-9,12-13,17,20,24H,2-7,10H2,1H3,(H,21,22)
InChIKeyGNUPBPHUQXDMMD-UHFFFAOYSA-N
XLogP2.44
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol?
The IUPAC name of [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol (CID 123600399) is [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol.
What is the SMILES notation for [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol?
The canonical SMILES for [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol is Cc1cc2[nH]c(N3CCC(C(O)NC4CCOC4)CC3)nc2cc1Cl.
What is the InChIKey of [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol?
The InChIKey is GNUPBPHUQXDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-11-8-15-16(9-14(11)19)22-18(21-15)23-5-2-12(3-6-23)17(24)20-13-4-7-25-10-13/h8-9,12-13,17,20,24H,2-7,10H2,1H3,(H,21,22).
What are the key properties of [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol?
[1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol has a molecular weight of 364.88 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(oxolan-3-ylamino)methanol is sourced from PubChem (CID 123600399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).