N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide

C16H22ClN5O — CID 75258578

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)NN1
InChIInChI=1S/C16H22ClN5O/c1-3-4-11-8-14(21-20-11)16(23)22(2)9-15-18-12-6-5-10(17)7-13(12)19-15/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyLRCTYGOQRIWUNB-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.21
Rot. Bonds5

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide (PubChem CID 75258578) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
PubChem CID75258578
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)NN1
InChIInChI=1S/C16H22ClN5O/c1-3-4-11-8-14(21-20-11)16(23)22(2)9-15-18-12-6-5-10(17)7-13(12)19-15/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyLRCTYGOQRIWUNB-UHFFFAOYSA-N
XLogP2.21
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide (CID 75258578) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide is CCCC1CC(C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)NN1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide?
The InChIKey is LRCTYGOQRIWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-3-4-11-8-14(21-20-11)16(23)22(2)9-15-18-12-6-5-10(17)7-13(12)19-15/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.21, 5 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]-N-methyl-5-propylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75258578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).