N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide

C22H25N3O3 — CID 97284153

IUPACN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)nc3ccccc31)C2
InChIInChI=1S/C22H25N3O3/c1-15-24-18-7-3-4-8-19(18)25(15)11-10-21(26)23-13-16-12-17-6-5-9-20(27-2)22(17)28-14-16/h3-9,16H,10-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyHSAVEHBIXMPWMF-MRXNPFEDSA-N
MW379.46 g/mol
LogP3.11
Rot. Bonds6

About N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 97284153) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID97284153
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)nc3ccccc31)C2
InChIInChI=1S/C22H25N3O3/c1-15-24-18-7-3-4-8-19(18)25(15)11-10-21(26)23-13-16-12-17-6-5-9-20(27-2)22(17)28-14-16/h3-9,16H,10-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyHSAVEHBIXMPWMF-MRXNPFEDSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
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CID 97210078
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
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N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72867682
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide (CID 97284153) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide is COc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)nc3ccccc31)C2.
What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is HSAVEHBIXMPWMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-24-18-7-3-4-8-19(18)25(15)11-10-21(26)23-13-16-12-17-6-5-9-20(27-2)22(17)28-14-16/h3-9,16H,10-14H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide?
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 97284153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).