(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide

C17H23N3OS — CID 7246705

IUPAC(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(C)Cn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc21
InChIInChI=1S/C17H23N3OS/c1-11(2)10-20-15-7-5-4-6-14(15)19-17(20)22-12(3)16(21)18-13-8-9-13/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyCDDCCTJZAGFKLS-GFCCVEGCSA-N
MW317.46 g/mol
LogP3.45
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide

(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 7246705) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID7246705
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(C)Cn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc21
InChIInChI=1S/C17H23N3OS/c1-11(2)10-20-15-7-5-4-6-14(15)19-17(20)22-12(3)16(21)18-13-8-9-13/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyCDDCCTJZAGFKLS-GFCCVEGCSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2R)-2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide
CID 7227448
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544
N-cyclopropyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 24686290

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide (CID 7246705) is (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide is CC(C)Cn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc21.
What is the InChIKey of (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is CDDCCTJZAGFKLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11(2)10-20-15-7-5-4-6-14(15)19-17(20)22-12(3)16(21)18-13-8-9-13/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide?
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 7246705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).