(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide

C22H22FN5O — CID 92628096

IUPAC(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C22H22FN5O/c1-3-21-26-19-10-6-7-11-20(19)28(21)15(2)22(29)25-17-12-24-27(14-17)13-16-8-4-5-9-18(16)23/h4-12,14-15H,3,13H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyXVMFIFDUWQSYSR-HNNXBMFYSA-N
MW391.45 g/mol
LogP4.18
Rot. Bonds6

About (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide

(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 92628096) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID92628096
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C22H22FN5O/c1-3-21-26-19-10-6-7-11-20(19)28(21)15(2)22(29)25-17-12-24-27(14-17)13-16-8-4-5-9-18(16)23/h4-12,14-15H,3,13H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyXVMFIFDUWQSYSR-HNNXBMFYSA-N
XLogP4.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
cis-(1S,3R)-3-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390862
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
CID 46974742
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide (CID 92628096) is (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide is CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is XVMFIFDUWQSYSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-3-21-26-19-10-6-7-11-20(19)28(21)15(2)22(29)25-17-12-24-27(14-17)13-16-8-4-5-9-18(16)23/h4-12,14-15H,3,13H2,1-2H3,(H,25,29)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 391.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 92628096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).