N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide

C16H21N3OS — CID 124862001

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
SMILESCSCC[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N3OS/c1-19-14-6-4-3-5-12(14)17-15(19)13(9-10-21-2)18-16(20)11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyKTKQAKSOAPXWQY-CYBMUJFWSA-N
MW303.43 g/mol
LogP2.89
Rot. Bonds6

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide (PubChem CID 124862001) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
PubChem CID124862001
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
SMILESCSCC[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N3OS/c1-19-14-6-4-3-5-12(14)17-15(19)13(9-10-21-2)18-16(20)11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyKTKQAKSOAPXWQY-CYBMUJFWSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 91639325
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 91638736
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 127253061
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 124864692
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]urea
CID 121239940
2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 91638880
N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 91822632
3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239761
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
CID 119855269

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide (CID 124862001) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide is CSCC[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide?
The InChIKey is KTKQAKSOAPXWQY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19-14-6-4-3-5-12(14)17-15(19)13(9-10-21-2)18-16(20)11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide is sourced from PubChem (CID 124862001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).