N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H24ClN5O — CID 56882007

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H24ClN5O/c1-24-11-18(4-6-20-7-5-18)9-15(24)17(25)21-10-16-22-13-3-2-12(19)8-14(13)23-16/h2-3,8,15,20H,4-7,9-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYIUJMIMWHCRQAQ-UHFFFAOYSA-N
MW361.88 g/mol
LogP1.91
Rot. Bonds3

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56882007) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56882007
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H24ClN5O/c1-24-11-18(4-6-20-7-5-18)9-15(24)17(25)21-10-16-22-13-3-2-12(19)8-14(13)23-16/h2-3,8,15,20H,4-7,9-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYIUJMIMWHCRQAQ-UHFFFAOYSA-N
XLogP1.91
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide 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 N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56882007) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)CC1C(=O)NCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is YIUJMIMWHCRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-24-11-18(4-6-20-7-5-18)9-15(24)17(25)21-10-16-22-13-3-2-12(19)8-14(13)23-16/h2-3,8,15,20H,4-7,9-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56882007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).