N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide

C21H26N4O2S — CID 97074460

IUPACN,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C[C@@H](c3cccs3)N3CCOCC3)ccc2n1C
InChIInChI=1S/C21H26N4O2S/c1-15-22-17-13-16(6-7-18(17)24(15)3)21(26)23(2)14-19(20-5-4-12-28-20)25-8-10-27-11-9-25/h4-7,12-13,19H,8-11,14H2,1-3H3/t19-/m0/s1
InChIKeyRWLNFBISKFDPKV-IBGZPJMESA-N
MW398.53 g/mol
LogP3.09
Rot. Bonds5

About N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide

N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide (PubChem CID 97074460) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide
PubChem CID97074460
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)C[C@@H](c3cccs3)N3CCOCC3)ccc2n1C
InChIInChI=1S/C21H26N4O2S/c1-15-22-17-13-16(6-7-18(17)24(15)3)21(26)23(2)14-19(20-5-4-12-28-20)25-8-10-27-11-9-25/h4-7,12-13,19H,8-11,14H2,1-3H3/t19-/m0/s1
InChIKeyRWLNFBISKFDPKV-IBGZPJMESA-N
XLogP3.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide?
The IUPAC name of N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide (CID 97074460) is N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide?
The canonical SMILES for N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)C[C@@H](c3cccs3)N3CCOCC3)ccc2n1C.
What is the InChIKey of N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide?
The InChIKey is RWLNFBISKFDPKV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-22-17-13-16(6-7-18(17)24(15)3)21(26)23(2)14-19(20-5-4-12-28-20)25-8-10-27-11-9-25/h4-7,12-13,19H,8-11,14H2,1-3H3/t19-/m0/s1.
What are the key properties of N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide?
N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 97074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).