2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H27N5O — CID 129477373

IUPAC2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c([C@H]2CCCN2CC(=O)NCc2cccnc2)nc2c1CCCC2
InChIInChI=1S/C20H27N5O/c1-24-17-8-3-2-7-16(17)23-20(24)18-9-5-11-25(18)14-19(26)22-13-15-6-4-10-21-12-15/h4,6,10,12,18H,2-3,5,7-9,11,13-14H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyNGUFEHRMUFRGKH-GOSISDBHSA-N
MW353.47 g/mol
LogP2.15
Rot. Bonds5

About 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 129477373) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID129477373
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c([C@H]2CCCN2CC(=O)NCc2cccnc2)nc2c1CCCC2
InChIInChI=1S/C20H27N5O/c1-24-17-8-3-2-7-16(17)23-20(24)18-9-5-11-25(18)14-19(26)22-13-15-6-4-10-21-12-15/h4,6,10,12,18H,2-3,5,7-9,11,13-14H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyNGUFEHRMUFRGKH-GOSISDBHSA-N
XLogP2.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128971093
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97078468
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129343428
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
1-methyl-2-[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978934
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136524740
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 129344593

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 129477373) is 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cn1c([C@H]2CCCN2CC(=O)NCc2cccnc2)nc2c1CCCC2.
What is the InChIKey of 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is NGUFEHRMUFRGKH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24-17-8-3-2-7-16(17)23-20(24)18-9-5-11-25(18)14-19(26)22-13-15-6-4-10-21-12-15/h4,6,10,12,18H,2-3,5,7-9,11,13-14H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 129477373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).