N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide

C21H23N3O3 — CID 97146068

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C21H23N3O3/c25-13-20-23-17-6-2-3-7-18(17)24(20)10-9-21(26)22-12-15-11-16-5-1-4-8-19(16)27-14-15/h1-8,15,25H,9-14H2,(H,22,26)/t15-/m1/s1
InChIKeyPUZVDWXDNAQBAS-OAHLLOKOSA-N
MW365.43 g/mol
LogP2.29
Rot. Bonds6

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide (PubChem CID 97146068) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
PubChem CID97146068
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NC[C@@H]1COc2ccccc2C1
InChIInChI=1S/C21H23N3O3/c25-13-20-23-17-6-2-3-7-18(17)24(20)10-9-21(26)22-12-15-11-16-5-1-4-8-19(16)27-14-15/h1-8,15,25H,9-14H2,(H,22,26)/t15-/m1/s1
InChIKeyPUZVDWXDNAQBAS-OAHLLOKOSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
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CID 74247344
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N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
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3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide (CID 97146068) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide is O=C(CCn1c(CO)nc2ccccc21)NC[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The InChIKey is PUZVDWXDNAQBAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-13-20-23-17-6-2-3-7-18(17)24(20)10-9-21(26)22-12-15-11-16-5-1-4-8-19(16)27-14-15/h1-8,15,25H,9-14H2,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 97146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).