N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide

C21H24N4O — CID 95707440

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCn1c(CCNC(=O)c2ccccc2[C@H]2CCNC2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-25-19-9-5-4-8-18(19)24-20(25)11-13-23-21(26)17-7-3-2-6-16(17)15-10-12-22-14-15/h2-9,15,22H,10-14H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyIMONQEVXHKTOEC-HNNXBMFYSA-N
MW348.45 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95707440) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95707440
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCn1c(CCNC(=O)c2ccccc2[C@H]2CCNC2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-25-19-9-5-4-8-18(19)24-20(25)11-13-23-21(26)17-7-3-2-6-16(17)15-10-12-22-14-15/h2-9,15,22H,10-14H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyIMONQEVXHKTOEC-HNNXBMFYSA-N
XLogP2.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
2-pyrrolidin-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 56905504
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95714521
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide (CID 95707440) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide is Cn1c(CCNC(=O)c2ccccc2[C@H]2CCNC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is IMONQEVXHKTOEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25-19-9-5-4-8-18(19)24-20(25)11-13-23-21(26)17-7-3-2-6-16(17)15-10-12-22-14-15/h2-9,15,22H,10-14H2,1H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95707440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).