N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide

C20H23N5O — CID 74648805

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C20H23N5O/c1-14-23-17-9-5-6-10-18(17)25(14)12-11-21-20(26)16-13-22-24-19(16)15-7-3-2-4-8-15/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,26)
InChIKeyHNNHDVVBPHDCOZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 74648805) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID74648805
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C20H23N5O/c1-14-23-17-9-5-6-10-18(17)25(14)12-11-21-20(26)16-13-22-24-19(16)15-7-3-2-4-8-15/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,26)
InChIKeyHNNHDVVBPHDCOZ-UHFFFAOYSA-N
XLogP1.93
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 134068392
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 66235655
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119835395
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
CID 95194564
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide (CID 74648805) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide is Cc1nc2ccccc2n1CCNC(=O)C1CNNC1c1ccccc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is HNNHDVVBPHDCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-23-17-9-5-6-10-18(17)25(14)12-11-21-20(26)16-13-22-24-19(16)15-7-3-2-4-8-15/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,26).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 74648805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).