N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C22H25N5O2 — CID 18116505

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)29)14-12-20(28)23-15(2)21-24-16-8-4-5-9-17(16)25-21/h4-11,15H,3,12-14H2,1-2H3,(H,23,28)(H,24,25)/t15-/m0/s1
InChIKeyTUSFKVSJDHWABF-HNNXBMFYSA-N
MW391.48 g/mol
LogP3.36
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 18116505) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID18116505
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)29)14-12-20(28)23-15(2)21-24-16-8-4-5-9-17(16)25-21/h4-11,15H,3,12-14H2,1-2H3,(H,23,28)(H,24,25)/t15-/m0/s1
InChIKeyTUSFKVSJDHWABF-HNNXBMFYSA-N
XLogP3.36
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 18116505) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is TUSFKVSJDHWABF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)29)14-12-20(28)23-15(2)21-24-16-8-4-5-9-17(16)25-21/h4-11,15H,3,12-14H2,1-2H3,(H,23,28)(H,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 391.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).