3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

C18H22N4O2S — CID 125176743

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc([C@H](C)CNC(=O)CCn2c(CO)nc3ccccc32)n1
InChIInChI=1S/C18H22N4O2S/c1-12(18-20-13(2)11-25-18)9-19-17(24)7-8-22-15-6-4-3-5-14(15)21-16(22)10-23/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeyNMVBWERXNBZMII-GFCCVEGCSA-N
MW358.47 g/mol
LogP2.60
Rot. Bonds7

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 125176743) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID125176743
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc([C@H](C)CNC(=O)CCn2c(CO)nc3ccccc32)n1
InChIInChI=1S/C18H22N4O2S/c1-12(18-20-13(2)11-25-18)9-19-17(24)7-8-22-15-6-4-3-5-14(15)21-16(22)10-23/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeyNMVBWERXNBZMII-GFCCVEGCSA-N
XLogP2.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 74249134
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CID 125172081
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 74234579
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 86858105
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 97146068
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CID 138381714
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
CID 146042378
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 125176743) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is Cc1csc([C@H](C)CNC(=O)CCn2c(CO)nc3ccccc32)n1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is NMVBWERXNBZMII-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(18-20-13(2)11-25-18)9-19-17(24)7-8-22-15-6-4-3-5-14(15)21-16(22)10-23/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,24)/t12-/m1/s1.
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 358.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 125176743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).